N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28FN7O3 — CID 146383298

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CCC(OC)CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C23H28FN7O3/c1-25-20-11-19(30-21-15(12-27-31(20)21)22(32)29-18-10-16(18)24)28-17-4-3-9-26-23(17)34-14-7-5-13(33-2)6-8-14/h3-4,9,11-14,16,18,25H,5-8,10H2,1-2H3,(H,28,30)(H,29,32)/t13?,14?,16-,18+/m1/s1
InChIKeyWIIIMLHVWCGSDC-FLMHQWFMSA-N
MW469.52 g/mol
LogP3.09
Rot. Bonds8

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383298) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383298
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CCC(OC)CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C23H28FN7O3/c1-25-20-11-19(30-21-15(12-27-31(20)21)22(32)29-18-10-16(18)24)28-17-4-3-9-26-23(17)34-14-7-5-13(33-2)6-8-14/h3-4,9,11-14,16,18,25H,5-8,10H2,1-2H3,(H,28,30)(H,29,32)/t13?,14?,16-,18+/m1/s1
InChIKeyWIIIMLHVWCGSDC-FLMHQWFMSA-N
XLogP3.09
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383298) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CCC(OC)CC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WIIIMLHVWCGSDC-FLMHQWFMSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-25-20-11-19(30-21-15(12-27-31(20)21)22(32)29-18-10-16(18)24)28-17-4-3-9-26-23(17)34-14-7-5-13(33-2)6-8-14/h3-4,9,11-14,16,18,25H,5-8,10H2,1-2H3,(H,28,30)(H,29,32)/t13?,14?,16-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[2-(4-methoxycyclohexyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).