N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24N8O — CID 66554932

IUPACN-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C22H24N8O/c1-15-4-5-19(24-13-15)30-20(12-18(27-30)16-6-10-28(2)11-7-16)26-22(31)17-14-25-29-9-3-8-23-21(17)29/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,26,31)
InChIKeyUFBTUCDTEKPVOS-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.68
Rot. Bonds4

About N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66554932) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66554932
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C22H24N8O/c1-15-4-5-19(24-13-15)30-20(12-18(27-30)16-6-10-28(2)11-7-16)26-22(31)17-14-25-29-9-3-8-23-21(17)29/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,26,31)
InChIKeyUFBTUCDTEKPVOS-UHFFFAOYSA-N
XLogP2.68
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66554932) is N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(C)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UFBTUCDTEKPVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15-4-5-19(24-13-15)30-20(12-18(27-30)16-6-10-28(2)11-7-16)26-22(31)17-14-25-29-9-3-8-23-21(17)29/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H,26,31).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66554932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).