4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C24H27N11O2 — CID 156866762

IUPAC4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCO[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C
InChIInChI=1S/C24H27N11O2/c1-13-11-34(7-8-37-13)20-10-19(25-12-26-20)22-17-9-16(5-6-18(17)28-29-22)27-23(36)21-14(2)33(4)24-30-31-32-35(24)15(21)3/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,27,36)(H,28,29)/t13-,15?/m0/s1
InChIKeySVNVLBFMVWLEQV-CFMCSPIPSA-N
MW501.56 g/mol
LogP2.15
Rot. Bonds4

About 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866762) has the molecular formula C24H27N11O2 and a molecular weight of 501.56 g/mol. Its IUPAC name is 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156866762
Molecular FormulaC24H27N11O2
Molecular Weight501.56 g/mol
Exact Mass501.23
IUPAC Name4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCO[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C
InChIInChI=1S/C24H27N11O2/c1-13-11-34(7-8-37-13)20-10-19(25-12-26-20)22-17-9-16(5-6-18(17)28-29-22)27-23(36)21-14(2)33(4)24-30-31-32-35(24)15(21)3/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,27,36)(H,28,29)/t13-,15?/m0/s1
InChIKeySVNVLBFMVWLEQV-CFMCSPIPSA-N
XLogP2.15
TPSA142.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.56
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866762) is 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4cc(N5CCO[C@@H](C)C5)ncn4)c3c2)C(C)n2nnnc2N1C.
What is the InChIKey of 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SVNVLBFMVWLEQV-CFMCSPIPSA-N. The full InChI is InChI=1S/C24H27N11O2/c1-13-11-34(7-8-37-13)20-10-19(25-12-26-20)22-17-9-16(5-6-18(17)28-29-22)27-23(36)21-14(2)33(4)24-30-31-32-35(24)15(21)3/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3,(H,27,36)(H,28,29)/t13-,15?/m0/s1.
What are the key properties of 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-N-[3-[6-[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-5-yl]-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).