4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide

C26H29N7O2S — CID 143273422

IUPAC4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1nc(-c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCC3=CSC(C(C)C)C3)ncn2)n[nH]1
InChIInChI=1S/C26H29N7O2S/c1-14(2)23-8-16(12-36-23)11-27-25(34)21-10-22(29-13-28-21)26(35)31-20-7-5-17-9-18(4-6-19(17)20)24-30-15(3)32-33-24/h4,6,9-10,12-14,20,23H,5,7-8,11H2,1-3H3,(H,27,34)(H,31,35)(H,30,32,33)/t20-,23?/m0/s1
InChIKeyVPCLIGDVRDURKX-AJZOCDQUSA-N
MW503.63 g/mol
LogP3.76
Rot. Bonds7

About 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide

4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 143273422) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide
PubChem CID143273422
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1nc(-c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCC3=CSC(C(C)C)C3)ncn2)n[nH]1
InChIInChI=1S/C26H29N7O2S/c1-14(2)23-8-16(12-36-23)11-27-25(34)21-10-22(29-13-28-21)26(35)31-20-7-5-17-9-18(4-6-19(17)20)24-30-15(3)32-33-24/h4,6,9-10,12-14,20,23H,5,7-8,11H2,1-3H3,(H,27,34)(H,31,35)(H,30,32,33)/t20-,23?/m0/s1
InChIKeyVPCLIGDVRDURKX-AJZOCDQUSA-N
XLogP3.76
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide with MolForge

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Related Compounds

6-N-[(5-ethylthiophen-3-yl)methyl]-4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686319
6-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-N-[(1R)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686662
6-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]-4-N-[(1R)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686847
6-N-[(5-methylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686508
6-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-N-[(1R)-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686882
6-N-[(4-fluorophenyl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58687132
6-N-[(2-methyl-1-benzofuran-6-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686938
6-N-[(1-methylpyrazol-4-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686152
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11576720
4-N-[(1S)-5-(1,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686187
6-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11677530
6-N-(1,2-benzoxazol-6-ylmethyl)-4-N-[(1R)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686852

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide (CID 143273422) is 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide is Cc1nc(-c2ccc3c(c2)CC[C@@H]3NC(=O)c2cc(C(=O)NCC3=CSC(C(C)C)C3)ncn2)n[nH]1.
What is the InChIKey of 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is VPCLIGDVRDURKX-AJZOCDQUSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-14(2)23-8-16(12-36-23)11-27-25(34)21-10-22(29-13-28-21)26(35)31-20-7-5-17-9-18(4-6-19(17)20)24-30-15(3)32-33-24/h4,6,9-10,12-14,20,23H,5,7-8,11H2,1-3H3,(H,27,34)(H,31,35)(H,30,32,33)/t20-,23?/m0/s1.
What are the key properties of 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide?
4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 503.63 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-N-[(2-propan-2-yl-2,3-dihydrothiophen-4-yl)methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 143273422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).