N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C20H23N7 — CID 168773418

IUPACN-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCC(CNc2ncc3c(-c4ccn5nccc5c4)c[nH]c3n2)CC1
InChIInChI=1S/C20H23N7/c1-26-7-3-14(4-8-26)11-22-20-23-13-18-17(12-21-19(18)25-20)15-5-9-27-16(10-15)2-6-24-27/h2,5-6,9-10,12-14H,3-4,7-8,11H2,1H3,(H2,21,22,23,25)
InChIKeySKSBIIXRNKYPOV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.03
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773418) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773418
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCC(CNc2ncc3c(-c4ccn5nccc5c4)c[nH]c3n2)CC1
InChIInChI=1S/C20H23N7/c1-26-7-3-14(4-8-26)11-22-20-23-13-18-17(12-21-19(18)25-20)15-5-9-27-16(10-15)2-6-24-27/h2,5-6,9-10,12-14H,3-4,7-8,11H2,1H3,(H2,21,22,23,25)
InChIKeySKSBIIXRNKYPOV-UHFFFAOYSA-N
XLogP3.03
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773418) is N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCC(CNc2ncc3c(-c4ccn5nccc5c4)c[nH]c3n2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is SKSBIIXRNKYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-26-7-3-14(4-8-26)11-22-20-23-13-18-17(12-21-19(18)25-20)15-5-9-27-16(10-15)2-6-24-27/h2,5-6,9-10,12-14H,3-4,7-8,11H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).