(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone

C19H22N6O — CID 133440136

IUPAC(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(NCc3ccnc4ccnn34)nc2)CC1
InChIInChI=1S/C19H22N6O/c1-14-6-10-24(11-7-14)19(26)15-2-3-17(21-12-15)22-13-16-4-8-20-18-5-9-23-25(16)18/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,21,22)
InChIKeyDJWMCXWEXUCSAU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.61
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 133440136) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
PubChem CID133440136
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(NCc3ccnc4ccnn34)nc2)CC1
InChIInChI=1S/C19H22N6O/c1-14-6-10-24(11-7-14)19(26)15-2-3-17(21-12-15)22-13-16-4-8-20-18-5-9-23-25(16)18/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,21,22)
InChIKeyDJWMCXWEXUCSAU-UHFFFAOYSA-N
XLogP2.61
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 111515872
[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133332166
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone (CID 133440136) is (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone is CC1CCN(C(=O)c2ccc(NCc3ccnc4ccnn34)nc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is DJWMCXWEXUCSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-6-10-24(11-7-14)19(26)15-2-3-17(21-12-15)22-13-16-4-8-20-18-5-9-23-25(16)18/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,21,22).
What are the key properties of (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 133440136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).