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

C28H35N9O — CID 90272130

IUPACN-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCC(N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cn4)n3)CC2)CC1
InChIInChI=1S/C28H35N9O/c1-3-34-13-9-22(10-14-34)35-15-7-21(8-16-35)24-17-26(37(33-24)25-6-5-20(2)18-30-25)32-28(38)23-19-31-36-12-4-11-29-27(23)36/h4-6,11-12,17-19,21-22H,3,7-10,13-16H2,1-2H3,(H,32,38)
InChIKeyJVRKNFFBQIUWRJ-UHFFFAOYSA-N
MW513.65 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90272130) has the molecular formula C28H35N9O and a molecular weight of 513.65 g/mol. Its IUPAC name is N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90272130
Molecular FormulaC28H35N9O
Molecular Weight513.65 g/mol
Exact Mass513.30
IUPAC NameN-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCC(N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cn4)n3)CC2)CC1
InChIInChI=1S/C28H35N9O/c1-3-34-13-9-22(10-14-34)35-15-7-21(8-16-35)24-17-26(37(33-24)25-6-5-20(2)18-30-25)32-28(38)23-19-31-36-12-4-11-29-27(23)36/h4-6,11-12,17-19,21-22H,3,7-10,13-16H2,1-2H3,(H,32,38)
InChIKeyJVRKNFFBQIUWRJ-UHFFFAOYSA-N
XLogP3.53
TPSA96.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90272130) is N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-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-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCC(N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cn4)n3)CC2)CC1.
What is the InChIKey of N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JVRKNFFBQIUWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N9O/c1-3-34-13-9-22(10-14-34)35-15-7-21(8-16-35)24-17-26(37(33-24)25-6-5-20(2)18-30-25)32-28(38)23-19-31-36-12-4-11-29-27(23)36/h4-6,11-12,17-19,21-22H,3,7-10,13-16H2,1-2H3,(H,32,38).
What are the key properties of N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 513.65 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90272130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).