N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C18H24N6O — CID 171492031

IUPACN-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3c2CCC3)nc1N1CCN(C)CC1
InChIInChI=1S/C18H24N6O/c1-12-6-7-15(19-17(12)24-10-8-23(2)9-11-24)20-18(25)16-13-4-3-5-14(13)21-22-16/h6-7H,3-5,8-11H2,1-2H3,(H,21,22)(H,19,20,25)
InChIKeyZTJAGPBSFLIVDU-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.61
Rot. Bonds3

About N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 171492031) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID171492031
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3c2CCC3)nc1N1CCN(C)CC1
InChIInChI=1S/C18H24N6O/c1-12-6-7-15(19-17(12)24-10-8-23(2)9-11-24)20-18(25)16-13-4-3-5-14(13)21-22-16/h6-7H,3-5,8-11H2,1-2H3,(H,21,22)(H,19,20,25)
InChIKeyZTJAGPBSFLIVDU-UHFFFAOYSA-N
XLogP1.61
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 171492031) is N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c3c2CCC3)nc1N1CCN(C)CC1.
What is the InChIKey of N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ZTJAGPBSFLIVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-6-7-15(19-17(12)24-10-8-23(2)9-11-24)20-18(25)16-13-4-3-5-14(13)21-22-16/h6-7H,3-5,8-11H2,1-2H3,(H,21,22)(H,19,20,25).
What are the key properties of N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 171492031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).