N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

C28H29N7O — CID 137115371

IUPACN-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H29N7O/c1-3-27(36)30-20-13-19(16-29-17-20)18-7-8-24-22(14-18)28(33-32-24)25-15-21-23(31-25)5-4-6-26(21)35-11-9-34(2)10-12-35/h4-8,13-17,31H,3,9-12H2,1-2H3,(H,30,36)(H,32,33)
InChIKeyBROVXHAXGRYIJR-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.87
Rot. Bonds5

About N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137115371) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID137115371
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC NameN-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H29N7O/c1-3-27(36)30-20-13-19(16-29-17-20)18-7-8-24-22(14-18)28(33-32-24)25-15-21-23(31-25)5-4-6-26(21)35-11-9-34(2)10-12-35/h4-8,13-17,31H,3,9-12H2,1-2H3,(H,30,36)(H,32,33)
InChIKeyBROVXHAXGRYIJR-UHFFFAOYSA-N
XLogP4.87
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137115210
N,N-dimethyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137115280
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137112904
2-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137111940
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137111811
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
N-hex-1-en-2-yl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137102929
5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145252184
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137116187
2-(dimethylamino)-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041769
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137112030
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137039073

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137115371) is N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCN(C)CC6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is BROVXHAXGRYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-3-27(36)30-20-13-19(16-29-17-20)18-7-8-24-22(14-18)28(33-32-24)25-15-21-23(31-25)5-4-6-26(21)35-11-9-34(2)10-12-35/h4-8,13-17,31H,3,9-12H2,1-2H3,(H,30,36)(H,32,33).
What are the key properties of N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 479.59 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137115371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).