N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H29FN8O — CID 137449909

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(CCN3CCCCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C25H29FN8O/c1-27-22-13-20(30-24-17(14-29-34(22)24)25(35)31-21-12-19(21)26)18-15-33(23-16(18)6-5-7-28-23)11-10-32-8-3-2-4-9-32/h5-7,13-15,19,21,27H,2-4,8-12H2,1H3,(H,31,35)/t19-,21+/m1/s1
InChIKeyFPANHMIZNWKZRI-CTNGQTDRSA-N
MW476.56 g/mol
LogP3.11
Rot. Bonds7

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449909) has the molecular formula C25H29FN8O and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449909
Molecular FormulaC25H29FN8O
Molecular Weight476.56 g/mol
Exact Mass476.24
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(CCN3CCCCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C25H29FN8O/c1-27-22-13-20(30-24-17(14-29-34(22)24)25(35)31-21-12-19(21)26)18-15-33(23-16(18)6-5-7-28-23)11-10-32-8-3-2-4-9-32/h5-7,13-15,19,21,27H,2-4,8-12H2,1H3,(H,31,35)/t19-,21+/m1/s1
InChIKeyFPANHMIZNWKZRI-CTNGQTDRSA-N
XLogP3.11
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]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]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449909) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(CCN3CCCCC3)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FPANHMIZNWKZRI-CTNGQTDRSA-N. The full InChI is InChI=1S/C25H29FN8O/c1-27-22-13-20(30-24-17(14-29-34(22)24)25(35)31-21-12-19(21)26)18-15-33(23-16(18)6-5-7-28-23)11-10-32-8-3-2-4-9-32/h5-7,13-15,19,21,27H,2-4,8-12H2,1H3,(H,31,35)/t19-,21+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).