6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

C24H25N7O2 — CID 58686575

IUPAC6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
SMILESCC(C)(C)n1cc(CNC(=O)c2cc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)ncn2)cn1
InChIInChI=1S/C24H25N7O2/c1-24(2,3)31-13-16(12-29-31)11-26-22(32)20-9-21(28-14-27-20)23(33)30-19-7-5-17-8-15(10-25)4-6-18(17)19/h4,6,8-9,12-14,19H,5,7,11H2,1-3H3,(H,26,32)(H,30,33)/t19-/m1/s1
InChIKeyRZXBMTXTGBDTRF-LJQANCHMSA-N
MW443.51 g/mol
LogP2.65
Rot. Bonds5

About 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide

6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686575) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
PubChem CID58686575
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
SMILESCC(C)(C)n1cc(CNC(=O)c2cc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)ncn2)cn1
InChIInChI=1S/C24H25N7O2/c1-24(2,3)31-13-16(12-29-31)11-26-22(32)20-9-21(28-14-27-20)23(33)30-19-7-5-17-8-15(10-25)4-6-18(17)19/h4,6,8-9,12-14,19H,5,7,11H2,1-3H3,(H,26,32)(H,30,33)/t19-/m1/s1
InChIKeyRZXBMTXTGBDTRF-LJQANCHMSA-N
XLogP2.65
TPSA125.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide (CID 58686575) is 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is CC(C)(C)n1cc(CNC(=O)c2cc(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)ncn2)cn1.
What is the InChIKey of 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
The InChIKey is RZXBMTXTGBDTRF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-24(2,3)31-13-16(12-29-31)11-26-22(32)20-9-21(28-14-27-20)23(33)30-19-7-5-17-8-15(10-25)4-6-18(17)19/h4,6,8-9,12-14,19H,5,7,11H2,1-3H3,(H,26,32)(H,30,33)/t19-/m1/s1.
What are the key properties of 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide?
6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-tert-butylpyrazol-4-yl)methyl]-4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).