7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine

C71H71ClF3N15O3 — CID 159139344

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(C(C)C)cnn13)C2
InChIInChI=1S/C24H24FN5O.C23H22FN5O.C14H12ClFN4.C10H13NO/c1-14(2)21-13-27-30-23(10-22(29-24(21)30)17-6-18(25)12-26-11-17)28-19-7-15-4-5-20(31-3)9-16(15)8-19;1-13(2)20-12-26-29-22(27-18-6-14-3-4-19(30)8-15(14)7-18)9-21(28-23(20)29)16-5-17(24)11-25-10-16;1-8(2)11-7-18-20-13(15)4-12(19-14(11)20)9-3-10(16)6-17-5-9;1-12-10-3-2-7-4-9(11)5-8(7)6-10/h4-6,9-14,19,28H,7-8H2,1-3H3;3-5,8-13,18,27,30H,6-7H2,1-2H3;3-8H,1-2H3;2-3,6,9H,4-5,11H2,1H3/t19-;18-;;9-/m00.0/s1
InChIKeyKHXAYEMTSLROKJ-VWUNXFSZSA-N
MW1274.90 g/mol
LogP13.81
Rot. Bonds12

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine

7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine (PubChem CID 159139344) has the molecular formula C71H71ClF3N15O3 and a molecular weight of 1274.90 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
PubChem CID159139344
Molecular FormulaC71H71ClF3N15O3
Molecular Weight1274.90 g/mol
Exact Mass1273.55
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
SMILESCC(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(C(C)C)cnn13)C2
InChIInChI=1S/C24H24FN5O.C23H22FN5O.C14H12ClFN4.C10H13NO/c1-14(2)21-13-27-30-23(10-22(29-24(21)30)17-6-18(25)12-26-11-17)28-19-7-15-4-5-20(31-3)9-16(15)8-19;1-13(2)20-12-26-29-22(27-18-6-14-3-4-19(30)8-15(14)7-18)9-21(28-23(20)29)16-5-17(24)11-25-10-16;1-8(2)11-7-18-20-13(15)4-12(19-14(11)20)9-3-10(16)6-17-5-9;1-12-10-3-2-7-4-9(11)5-8(7)6-10/h4-6,9-14,19,28H,7-8H2,1-3H3;3-5,8-13,18,27,30H,6-7H2,1-2H3;3-8H,1-2H3;2-3,6,9H,4-5,11H2,1H3/t19-;18-;;9-/m00.0/s1
InChIKeyKHXAYEMTSLROKJ-VWUNXFSZSA-N
XLogP13.81
TPSA218.01 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.90
LogP ≤ 513.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine (CID 159139344) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine is CC(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(C(C)C)cnn13)C2.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KHXAYEMTSLROKJ-VWUNXFSZSA-N. The full InChI is InChI=1S/C24H24FN5O.C23H22FN5O.C14H12ClFN4.C10H13NO/c1-14(2)21-13-27-30-23(10-22(29-24(21)30)17-6-18(25)12-26-11-17)28-19-7-15-4-5-20(31-3)9-16(15)8-19;1-13(2)20-12-26-29-22(27-18-6-14-3-4-19(30)8-15(14)7-18)9-21(28-23(20)29)16-5-17(24)11-25-10-16;1-8(2)11-7-18-20-13(15)4-12(19-14(11)20)9-3-10(16)6-17-5-9;1-12-10-3-2-7-4-9(11)5-8(7)6-10/h4-6,9-14,19,28H,7-8H2,1-3H3;3-5,8-13,18,27,30H,6-7H2,1-2H3;3-8H,1-2H3;2-3,6,9H,4-5,11H2,1H3/t19-;18-;;9-/m00.0/s1.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine has a molecular weight of 1274.90 g/mol, XLogP of 13.81, 12 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[5-(5-fluoro-3-pyridinyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 159139344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).