N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28F2N8O2 — CID 137449332

IUPACN-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCN(CC(F)F)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H28F2N8O2/c1-26-20-11-19(30-21-16(12-27-33(20)21)22(34)28-14-4-5-14)29-17-3-2-8-32(23(17)35)15-6-9-31(10-7-15)13-18(24)25/h2-3,8,11-12,14-15,18,26H,4-7,9-10,13H2,1H3,(H,28,34)(H,29,30)
InChIKeySUPNOYKBYIOMLY-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.47
Rot. Bonds8

About N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449332) has the molecular formula C23H28F2N8O2 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449332
Molecular FormulaC23H28F2N8O2
Molecular Weight486.53 g/mol
Exact Mass486.23
IUPAC NameN-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCN(CC(F)F)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H28F2N8O2/c1-26-20-11-19(30-21-16(12-27-33(20)21)22(34)28-14-4-5-14)29-17-3-2-8-32(23(17)35)15-6-9-31(10-7-15)13-18(24)25/h2-3,8,11-12,14-15,18,26H,4-7,9-10,13H2,1H3,(H,28,34)(H,29,30)
InChIKeySUPNOYKBYIOMLY-UHFFFAOYSA-N
XLogP2.47
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-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-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449332) is N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCN(CC(F)F)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SUPNOYKBYIOMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N8O2/c1-26-20-11-19(30-21-16(12-27-33(20)21)22(34)28-14-4-5-14)29-17-3-2-8-32(23(17)35)15-6-9-31(10-7-15)13-18(24)25/h2-3,8,11-12,14-15,18,26H,4-7,9-10,13H2,1H3,(H,28,34)(H,29,30).
What are the key properties of N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).