N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C24H26N6OS — CID 134558476

IUPACN-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCC1CCC(CN(C)C(=O)c2ccnc(-c3cnn4ccc(-c5cccs5)nc34)c2)NC1
InChIInChI=1S/C24H26N6OS/c1-16-5-6-18(26-13-16)15-29(2)24(31)17-7-9-25-21(12-17)19-14-27-30-10-8-20(28-23(19)30)22-4-3-11-32-22/h3-4,7-12,14,16,18,26H,5-6,13,15H2,1-2H3
InChIKeyYNKJNYMMDKHJMC-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.98
Rot. Bonds5

About N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134558476) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134558476
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC NameN-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCC1CCC(CN(C)C(=O)c2ccnc(-c3cnn4ccc(-c5cccs5)nc34)c2)NC1
InChIInChI=1S/C24H26N6OS/c1-16-5-6-18(26-13-16)15-29(2)24(31)17-7-9-25-21(12-17)19-14-27-30-10-8-20(28-23(19)30)22-4-3-11-32-22/h3-4,7-12,14,16,18,26H,5-6,13,15H2,1-2H3
InChIKeyYNKJNYMMDKHJMC-UHFFFAOYSA-N
XLogP3.98
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-diazabicyclo[3.2.2]nonan-3-yl-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134554023
(4S)-4-(cyclopropylmethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one
CID 153180581
N-[(2S)-2-(diethylamino)propyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539764
[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-[2-[(2-hydroxy-2-methylpropyl)amino]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134539799
3,6-diazabicyclo[3.2.2]nonan-3-yl-[2-[2-imidazol-1-ylethyl(methyl)amino]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone
CID 134540024
9-methyl-3,9-diazabicyclo[4.2.1]nonane;2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carbaldehyde
CID 142366057
N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539619
N-[(2S)-2-(diethylamino)propyl]-2-(1,3-oxazol-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539753
N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540172
N-[4-[(4S)-4-(diethylamino)pentanoyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]-2-methylpropanamide
CID 157404362
N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540119
N-[(2S)-2-(diethylamino)propyl]-2-(4-hydroxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134558476) is N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CC1CCC(CN(C)C(=O)c2ccnc(-c3cnn4ccc(-c5cccs5)nc34)c2)NC1.
What is the InChIKey of N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is YNKJNYMMDKHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-16-5-6-18(26-13-16)15-29(2)24(31)17-7-9-25-21(12-17)19-14-27-30-10-8-20(28-23(19)30)22-4-3-11-32-22/h3-4,7-12,14,16,18,26H,5-6,13,15H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylpiperidin-2-yl)methyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134558476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).