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

C21H24FN7O3 — CID 137449686

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CCOCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H24FN7O3/c1-23-18-10-17(26-15-3-2-6-24-21(15)32-12-4-7-31-8-5-12)28-19-13(11-25-29(18)19)20(30)27-16-9-14(16)22/h2-3,6,10-12,14,16,23H,4-5,7-9H2,1H3,(H,26,28)(H,27,30)/t14-,16+/m1/s1
InChIKeyFYNGPHRRHAGFMF-ZBFHGGJFSA-N
MW441.47 g/mol
LogP2.31
Rot. Bonds7

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449686) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449686
Molecular FormulaC21H24FN7O3
Molecular Weight441.47 g/mol
Exact Mass441.19
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC2CCOCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H24FN7O3/c1-23-18-10-17(26-15-3-2-6-24-21(15)32-12-4-7-31-8-5-12)28-19-13(11-25-29(18)19)20(30)27-16-9-14(16)22/h2-3,6,10-12,14,16,23H,4-5,7-9H2,1H3,(H,26,28)(H,27,30)/t14-,16+/m1/s1
InChIKeyFYNGPHRRHAGFMF-ZBFHGGJFSA-N
XLogP2.31
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449686) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC2CCOCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FYNGPHRRHAGFMF-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H24FN7O3/c1-23-18-10-17(26-15-3-2-6-24-21(15)32-12-4-7-31-8-5-12)28-19-13(11-25-29(18)19)20(30)27-16-9-14(16)22/h2-3,6,10-12,14,16,23H,4-5,7-9H2,1H3,(H,26,28)(H,27,30)/t14-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 2.31, 7 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]-7-(methylamino)-5-[[2-(oxan-4-yloxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).