5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C27H28N8O2 — CID 89442389

IUPAC5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)C6CC6)c5)cc34)cn2)CC1
InChIInChI=1S/C27H28N8O2/c1-34-8-10-35(11-9-34)24-7-5-20(16-29-24)30-27(37)25-22-13-18(4-6-23(22)32-33-25)19-12-21(15-28-14-19)31-26(36)17-2-3-17/h4-7,12-17H,2-3,8-11H2,1H3,(H,30,37)(H,31,36)(H,32,33)
InChIKeyGWJTXCUUTIPNOQ-UHFFFAOYSA-N
MW496.58 g/mol
LogP3.37
Rot. Bonds6

About 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89442389) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89442389
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC Name5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)C6CC6)c5)cc34)cn2)CC1
InChIInChI=1S/C27H28N8O2/c1-34-8-10-35(11-9-34)24-7-5-20(16-29-24)30-27(37)25-22-13-18(4-6-23(22)32-33-25)19-12-21(15-28-14-19)31-26(36)17-2-3-17/h4-7,12-17H,2-3,8-11H2,1H3,(H,30,37)(H,31,36)(H,32,33)
InChIKeyGWJTXCUUTIPNOQ-UHFFFAOYSA-N
XLogP3.37
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89442389) is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(NC(=O)C6CC6)c5)cc34)cn2)CC1.
What is the InChIKey of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is GWJTXCUUTIPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-34-8-10-35(11-9-34)24-7-5-20(16-29-24)30-27(37)25-22-13-18(4-6-23(22)32-33-25)19-12-21(15-28-14-19)31-26(36)17-2-3-17/h4-7,12-17H,2-3,8-11H2,1H3,(H,30,37)(H,31,36)(H,32,33).
What are the key properties of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89442389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).