2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22ClN9O2 — CID 129097559

IUPAC2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C#N)cnn2c1N1CCC[C@H](O)C1
InChIInChI=1S/C22H22ClN9O2/c1-12(28-21(34)17-19(25)29-31-7-3-5-26-20(17)31)15-8-16(23)18-13(9-24)10-27-32(18)22(15)30-6-2-4-14(33)11-30/h3,5,7-8,10,12,14,33H,2,4,6,11H2,1H3,(H2,25,29)(H,28,34)/t12?,14-/m0/s1
InChIKeyIIPCVBOXPAGFCS-PYMCNQPYSA-N
MW479.93 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097559) has the molecular formula C22H22ClN9O2 and a molecular weight of 479.93 g/mol. Its IUPAC name is 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097559
Molecular FormulaC22H22ClN9O2
Molecular Weight479.93 g/mol
Exact Mass479.16
IUPAC Name2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C#N)cnn2c1N1CCC[C@H](O)C1
InChIInChI=1S/C22H22ClN9O2/c1-12(28-21(34)17-19(25)29-31-7-3-5-26-20(17)31)15-8-16(23)18-13(9-24)10-27-32(18)22(15)30-6-2-4-14(33)11-30/h3,5,7-8,10,12,14,33H,2,4,6,11H2,1H3,(H2,25,29)(H,28,34)/t12?,14-/m0/s1
InChIKeyIIPCVBOXPAGFCS-PYMCNQPYSA-N
XLogP1.94
TPSA149.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097559) is 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(C#N)cnn2c1N1CCC[C@H](O)C1.
What is the InChIKey of 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IIPCVBOXPAGFCS-PYMCNQPYSA-N. The full InChI is InChI=1S/C22H22ClN9O2/c1-12(28-21(34)17-19(25)29-31-7-3-5-26-20(17)31)15-8-16(23)18-13(9-24)10-27-32(18)22(15)30-6-2-4-14(33)11-30/h3,5,7-8,10,12,14,33H,2,4,6,11H2,1H3,(H2,25,29)(H,28,34)/t12?,14-/m0/s1.
What are the key properties of 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.93 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-chloro-3-cyano-7-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).