N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide

C23H29N5O — CID 97142240

IUPACN-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N[C@H]3CC(C)(C)Cc4nc(C(C)(C)C)ncc43)c2c1
InChIInChI=1S/C23H29N5O/c1-13-7-8-16-14(9-13)19(28-27-16)20(29)25-17-10-23(5,6)11-18-15(17)12-24-21(26-18)22(2,3)4/h7-9,12,17H,10-11H2,1-6H3,(H,25,29)(H,27,28)/t17-/m0/s1
InChIKeyOWQZDQFUOFKTSA-KRWDZBQOSA-N
MW391.52 g/mol
LogP4.40
Rot. Bonds2

About N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide

N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 97142240) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID97142240
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N[C@H]3CC(C)(C)Cc4nc(C(C)(C)C)ncc43)c2c1
InChIInChI=1S/C23H29N5O/c1-13-7-8-16-14(9-13)19(28-27-16)20(29)25-17-10-23(5,6)11-18-15(17)12-24-21(26-18)22(2,3)4/h7-9,12,17H,10-11H2,1-6H3,(H,25,29)(H,27,28)/t17-/m0/s1
InChIKeyOWQZDQFUOFKTSA-KRWDZBQOSA-N
XLogP4.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)-2-hydroxy-4-methylbenzamide
CID 72905511
2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45220491
(5R)-2-tert-butyl-N-(cyclopropylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 25370573
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
N-[(5S)-2-[benzyl(methyl)amino]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 97123124
N-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29184538
2-tert-butyl-N-[[5-(methoxymethyl)furan-2-yl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45251389
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-5-methyl-1H-indazole-3-carboxamide
CID 78868789
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 110237676
2-tert-butyl-N-[(3-methoxyphenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 45214393

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide (CID 97142240) is N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N[C@H]3CC(C)(C)Cc4nc(C(C)(C)C)ncc43)c2c1.
What is the InChIKey of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is OWQZDQFUOFKTSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N5O/c1-13-7-8-16-14(9-13)19(28-27-16)20(29)25-17-10-23(5,6)11-18-15(17)12-24-21(26-18)22(2,3)4/h7-9,12,17H,10-11H2,1-6H3,(H,25,29)(H,27,28)/t17-/m0/s1.
What are the key properties of N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide?
N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 97142240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).