N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C14H19N5O — CID 119568411

IUPACN-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC3(CN)CCCC3)cc12
InChIInChI=1S/C14H19N5O/c1-9-11-6-10(7-16-12(11)19-18-9)13(20)17-14(8-15)4-2-3-5-14/h6-7H,2-5,8,15H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyQHCLAKRFJSJAQM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 119568411) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID119568411
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC3(CN)CCCC3)cc12
InChIInChI=1S/C14H19N5O/c1-9-11-6-10(7-16-12(11)19-18-9)13(20)17-14(8-15)4-2-3-5-14/h6-7H,2-5,8,15H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyQHCLAKRFJSJAQM-UHFFFAOYSA-N
XLogP1.27
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 119568411) is N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)NC3(CN)CCCC3)cc12.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QHCLAKRFJSJAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-11-6-10(7-16-12(11)19-18-9)13(20)17-14(8-15)4-2-3-5-14/h6-7H,2-5,8,15H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 119568411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).