4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

C20H26N8OS — CID 10180860

IUPAC4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCN2CCN(C)CC2)c(Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C20H26N8OS/c1-27-7-9-28(10-8-27)6-5-21-19(29)16-13-22-20(30-2)25-18(16)24-15-3-4-17-14(11-15)12-23-26-17/h3-4,11-13H,5-10H2,1-2H3,(H,21,29)(H,23,26)(H,22,24,25)
InChIKeyYONUVALDOOOREA-UHFFFAOYSA-N
MW426.55 g/mol
LogP1.80
Rot. Bonds7

About 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 10180860) has the molecular formula C20H26N8OS and a molecular weight of 426.55 g/mol. Its IUPAC name is 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID10180860
Molecular FormulaC20H26N8OS
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC Name4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCN2CCN(C)CC2)c(Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C20H26N8OS/c1-27-7-9-28(10-8-27)6-5-21-19(29)16-13-22-20(30-2)25-18(16)24-15-3-4-17-14(11-15)12-23-26-17/h3-4,11-13H,5-10H2,1-2H3,(H,21,29)(H,23,26)(H,22,24,25)
InChIKeyYONUVALDOOOREA-UHFFFAOYSA-N
XLogP1.80
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide with MolForge

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Related Compounds

4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 505757
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746
[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 505770
2-(1H-indazol-6-ylamino)-6-methyl-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 508482
[4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 121408476
methyl 3-hydroxy-2-[[4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carbonyl]amino]butanoate
CID 10180144
4-(3,4-dimethoxyanilino)-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 42882386
2-(1H-indazol-6-ylamino)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]pyridine-3-carboxamide;molecular hydrogen
CID 162164797
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
2-(1H-indazol-5-ylamino)-N-(2-methylpropyl)benzamide
CID 22933833
[4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 72694636
[(7S)-4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118096205

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 10180860) is 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCN2CCN(C)CC2)c(Nc2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is YONUVALDOOOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8OS/c1-27-7-9-28(10-8-27)6-5-21-19(29)16-13-22-20(30-2)25-18(16)24-15-3-4-17-14(11-15)12-23-26-17/h3-4,11-13H,5-10H2,1-2H3,(H,21,29)(H,23,26)(H,22,24,25).
What are the key properties of 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 426.55 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-ylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 10180860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).