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

C26H32N8O2 — CID 137449662

IUPACN-[(1S,2R)-2-hydroxycyclobutyl]-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]3CC[C@H]3O)cnn12
InChIInChI=1S/C26H32N8O2/c1-27-23-14-21(30-25-18(15-29-34(23)25)26(36)31-20-7-8-22(20)35)19-16-33(24-17(19)6-5-9-28-24)13-12-32-10-3-2-4-11-32/h5-6,9,14-16,20,22,27,35H,2-4,7-8,10-13H2,1H3,(H,31,36)/t20-,22+/m0/s1
InChIKeyAWUUURKAKCKDEE-RBBKRZOGSA-N
MW488.60 g/mol
LogP2.53
Rot. Bonds7

About N-[(1S,2R)-2-hydroxycyclobutyl]-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-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449662) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-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-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449662
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC NameN-[(1S,2R)-2-hydroxycyclobutyl]-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]3CC[C@H]3O)cnn12
InChIInChI=1S/C26H32N8O2/c1-27-23-14-21(30-25-18(15-29-34(23)25)26(36)31-20-7-8-22(20)35)19-16-33(24-17(19)6-5-9-28-24)13-12-32-10-3-2-4-11-32/h5-6,9,14-16,20,22,27,35H,2-4,7-8,10-13H2,1H3,(H,31,36)/t20-,22+/m0/s1
InChIKeyAWUUURKAKCKDEE-RBBKRZOGSA-N
XLogP2.53
TPSA112.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-hydroxycyclobutyl]-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-hydroxycyclobutyl]-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-hydroxycyclobutyl]-7-(methylamino)-5-[1-(2-piperidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449662) is N-[(1S,2R)-2-hydroxycyclobutyl]-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-hydroxycyclobutyl]-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-hydroxycyclobutyl]-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]3CC[C@H]3O)cnn12.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-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 AWUUURKAKCKDEE-RBBKRZOGSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-27-23-14-21(30-25-18(15-29-34(23)25)26(36)31-20-7-8-22(20)35)19-16-33(24-17(19)6-5-9-28-24)13-12-32-10-3-2-4-11-32/h5-6,9,14-16,20,22,27,35H,2-4,7-8,10-13H2,1H3,(H,31,36)/t20-,22+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-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-hydroxycyclobutyl]-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 488.60 g/mol, XLogP of 2.53, 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-hydroxycyclobutyl]-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 137449662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).