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

C25H29N9O2 — CID 66557142

IUPACN-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C4CCOCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35)
InChIKeyKFGPSRYBPKAUNB-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.17
Rot. Bonds5

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

N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66557142) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66557142
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC NameN-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(N3CCN(C4CCOCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1
InChIInChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35)
InChIKeyKFGPSRYBPKAUNB-UHFFFAOYSA-N
XLogP2.17
TPSA105.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66557142) is N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(N3CCN(C4CCOCC4)CC3)cc2NC(=O)c2cnn3cccnc23)nc1.
What is the InChIKey of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KFGPSRYBPKAUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-18-3-4-21(27-16-18)34-22(29-25(35)20-17-28-33-8-2-7-26-24(20)33)15-23(30-34)32-11-9-31(10-12-32)19-5-13-36-14-6-19/h2-4,7-8,15-17,19H,5-6,9-14H2,1H3,(H,29,35).
What are the key properties of N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66557142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).