4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

C19H23N7O2S — CID 505757

IUPAC4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCN2CCOCC2)c(Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C19H23N7O2S/c1-29-19-21-12-15(18(27)20-4-5-26-6-8-28-9-7-26)17(24-19)23-14-2-3-16-13(10-14)11-22-25-16/h2-3,10-12H,4-9H2,1H3,(H,20,27)(H,22,25)(H,21,23,24)
InChIKeyKOCYGAPFYPOPEI-UHFFFAOYSA-N
MW413.51 g/mol
LogP1.88
Rot. Bonds7

About 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide

4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 505757) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID505757
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC Name4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCN2CCOCC2)c(Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C19H23N7O2S/c1-29-19-21-12-15(18(27)20-4-5-26-6-8-28-9-7-26)17(24-19)23-14-2-3-16-13(10-14)11-22-25-16/h2-3,10-12H,4-9H2,1H3,(H,20,27)(H,22,25)(H,21,23,24)
InChIKeyKOCYGAPFYPOPEI-UHFFFAOYSA-N
XLogP1.88
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide (CID 505757) is 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCN2CCOCC2)c(Nc2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is KOCYGAPFYPOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-29-19-21-12-15(18(27)20-4-5-26-6-8-28-9-7-26)17(24-19)23-14-2-3-16-13(10-14)11-22-25-16/h2-3,10-12H,4-9H2,1H3,(H,20,27)(H,22,25)(H,21,23,24).
What are the key properties of 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide?
4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 1.88, 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)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 505757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).