N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide

C24H22N6O2 — CID 153323927

IUPACN-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)Cc2cc(-c3ccc4nn(-c5cccnc5)cc4c3)ccn2)CC1
InChIInChI=1S/C24H22N6O2/c1-25-23(32)24(7-8-24)28-22(31)13-19-12-17(6-10-27-19)16-4-5-21-18(11-16)15-30(29-21)20-3-2-9-26-14-20/h2-6,9-12,14-15H,7-8,13H2,1H3,(H,25,32)(H,28,31)
InChIKeyPOCVLDCTIAXRGA-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.42
Rot. Bonds6

About N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide

N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide (PubChem CID 153323927) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide
PubChem CID153323927
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)Cc2cc(-c3ccc4nn(-c5cccnc5)cc4c3)ccn2)CC1
InChIInChI=1S/C24H22N6O2/c1-25-23(32)24(7-8-24)28-22(31)13-19-12-17(6-10-27-19)16-4-5-21-18(11-16)15-30(29-21)20-3-2-9-26-14-20/h2-6,9-12,14-15H,7-8,13H2,1H3,(H,25,32)(H,28,31)
InChIKeyPOCVLDCTIAXRGA-UHFFFAOYSA-N
XLogP2.42
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide (CID 153323927) is N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide is CNC(=O)C1(NC(=O)Cc2cc(-c3ccc4nn(-c5cccnc5)cc4c3)ccn2)CC1.
What is the InChIKey of N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide?
The InChIKey is POCVLDCTIAXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-25-23(32)24(7-8-24)28-22(31)13-19-12-17(6-10-27-19)16-4-5-21-18(11-16)15-30(29-21)20-3-2-9-26-14-20/h2-6,9-12,14-15H,7-8,13H2,1H3,(H,25,32)(H,28,31).
What are the key properties of N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide?
N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-[4-(2-pyridin-3-ylindazol-5-yl)-2-pyridinyl]acetyl]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 153323927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).