4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide

C34H32N6O — CID 167640341

IUPAC4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESCc1cccc2c1CCC2NC(=O)c1ccc(C2CC2)c(-c2ccc3nc(Nc4cnn(C5CC5)c4)ncc3c2)c1
InChIInChI=1S/C34H32N6O/c1-20-3-2-4-29-27(20)12-14-32(29)38-33(41)23-7-11-28(21-5-6-21)30(16-23)22-8-13-31-24(15-22)17-35-34(39-31)37-25-18-36-40(19-25)26-9-10-26/h2-4,7-8,11,13,15-19,21,26,32H,5-6,9-10,12,14H2,1H3,(H,38,41)(H,35,37,39)
InChIKeyFGVMFWNWQWXAPF-UHFFFAOYSA-N
MW540.67 g/mol
LogP7.17
Rot. Bonds7

About 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide

4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 167640341) has the molecular formula C34H32N6O and a molecular weight of 540.67 g/mol. Its IUPAC name is 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID167640341
Molecular FormulaC34H32N6O
Molecular Weight540.67 g/mol
Exact Mass540.26
IUPAC Name4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
SMILESCc1cccc2c1CCC2NC(=O)c1ccc(C2CC2)c(-c2ccc3nc(Nc4cnn(C5CC5)c4)ncc3c2)c1
InChIInChI=1S/C34H32N6O/c1-20-3-2-4-29-27(20)12-14-32(29)38-33(41)23-7-11-28(21-5-6-21)30(16-23)22-8-13-31-24(15-22)17-35-34(39-31)37-25-18-36-40(19-25)26-9-10-26/h2-4,7-8,11,13,15-19,21,26,32H,5-6,9-10,12,14H2,1H3,(H,38,41)(H,35,37,39)
InChIKeyFGVMFWNWQWXAPF-UHFFFAOYSA-N
XLogP7.17
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide (CID 167640341) is 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide is Cc1cccc2c1CCC2NC(=O)c1ccc(C2CC2)c(-c2ccc3nc(Nc4cnn(C5CC5)c4)ncc3c2)c1.
What is the InChIKey of 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is FGVMFWNWQWXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O/c1-20-3-2-4-29-27(20)12-14-32(29)38-33(41)23-7-11-28(21-5-6-21)30(16-23)22-8-13-31-24(15-22)17-35-34(39-31)37-25-18-36-40(19-25)26-9-10-26/h2-4,7-8,11,13,15-19,21,26,32H,5-6,9-10,12,14H2,1H3,(H,38,41)(H,35,37,39).
What are the key properties of 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide?
4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 540.67 g/mol, XLogP of 7.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-(4-methyl-2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 167640341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).