(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

C15H20N6O — CID 97076436

IUPAC(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CCCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C15H20N6O/c22-15(16-6-10-3-4-10)11-2-1-5-21(8-11)14-12-7-19-20-13(12)17-9-18-14/h7,9-11H,1-6,8H2,(H,16,22)(H,17,18,19,20)/t11-/m0/s1
InChIKeyCQCHGTIOZFYDKC-NSHDSACASA-N
MW300.37 g/mol
LogP1.10
Rot. Bonds4

About (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 97076436) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID97076436
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@H]1CCCN(c2ncnc3[nH]ncc23)C1
InChIInChI=1S/C15H20N6O/c22-15(16-6-10-3-4-10)11-2-1-5-21(8-11)14-12-7-19-20-13(12)17-9-18-14/h7,9-11H,1-6,8H2,(H,16,22)(H,17,18,19,20)/t11-/m0/s1
InChIKeyCQCHGTIOZFYDKC-NSHDSACASA-N
XLogP1.10
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
1-(3-chloro-4-methyl-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 75457578
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 96566817
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 163352426
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 97076436) is (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is O=C(NCC1CC1)[C@H]1CCCN(c2ncnc3[nH]ncc23)C1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is CQCHGTIOZFYDKC-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O/c22-15(16-6-10-3-4-10)11-2-1-5-21(8-11)14-12-7-19-20-13(12)17-9-18-14/h7,9-11H,1-6,8H2,(H,16,22)(H,17,18,19,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97076436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).