N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C27H30N8O2 — CID 118173160

IUPACN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(CC6CC6)CC5)cc4c3)n2)cn1
InChIInChI=1S/C27H30N8O2/c1-32-16-21(14-28-32)23-3-2-4-25(30-23)27(37)29-22-7-8-24-20(13-22)17-35(31-24)18-26(36)34-11-9-33(10-12-34)15-19-5-6-19/h2-4,7-8,13-14,16-17,19H,5-6,9-12,15,18H2,1H3,(H,29,37)
InChIKeyCPPJMBFTRDWDJN-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.64
Rot. Bonds7

About N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118173160) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118173160
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC NameN-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(CC6CC6)CC5)cc4c3)n2)cn1
InChIInChI=1S/C27H30N8O2/c1-32-16-21(14-28-32)23-3-2-4-25(30-23)27(37)29-22-7-8-24-20(13-22)17-35(31-24)18-26(36)34-11-9-33(10-12-34)15-19-5-6-19/h2-4,7-8,13-14,16-17,19H,5-6,9-12,15,18H2,1H3,(H,29,37)
InChIKeyCPPJMBFTRDWDJN-UHFFFAOYSA-N
XLogP2.64
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118173160) is N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2cccc(C(=O)Nc3ccc4nn(CC(=O)N5CCN(CC6CC6)CC5)cc4c3)n2)cn1.
What is the InChIKey of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is CPPJMBFTRDWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-32-16-21(14-28-32)23-3-2-4-25(30-23)27(37)29-22-7-8-24-20(13-22)17-35(31-24)18-26(36)34-11-9-33(10-12-34)15-19-5-6-19/h2-4,7-8,13-14,16-17,19H,5-6,9-12,15,18H2,1H3,(H,29,37).
What are the key properties of N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118173160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).