2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide

C33H35N7OS — CID 167520967

IUPAC2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
SMILESCc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ncccc6s5)c4C3)nc2C2CC2)cnn1CC(C)(C)C
InChIInChI=1S/C33H35N7OS/c1-20-25(17-35-40(20)19-33(2,3)4)23-12-13-28(36-29(23)22-10-11-22)39-16-14-21-7-5-8-24(26(21)18-39)31(41)38-32-37-30-27(42-32)9-6-15-34-30/h5-9,12-13,15,17,22H,10-11,14,16,18-19H2,1-4H3,(H,34,37,38,41)
InChIKeyWRAGJNAVQVVIQS-UHFFFAOYSA-N
MW577.76 g/mol
LogP7.00
Rot. Bonds6

About 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide

2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide (PubChem CID 167520967) has the molecular formula C33H35N7OS and a molecular weight of 577.76 g/mol. Its IUPAC name is 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide.

Molecular Properties

Compound Name2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
PubChem CID167520967
Molecular FormulaC33H35N7OS
Molecular Weight577.76 g/mol
Exact Mass577.26
IUPAC Name2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
SMILESCc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ncccc6s5)c4C3)nc2C2CC2)cnn1CC(C)(C)C
InChIInChI=1S/C33H35N7OS/c1-20-25(17-35-40(20)19-33(2,3)4)23-12-13-28(36-29(23)22-10-11-22)39-16-14-21-7-5-8-24(26(21)18-39)31(41)38-32-37-30-27(42-32)9-6-15-34-30/h5-9,12-13,15,17,22H,10-11,14,16,18-19H2,1-4H3,(H,34,37,38,41)
InChIKeyWRAGJNAVQVVIQS-UHFFFAOYSA-N
XLogP7.00
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.76
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
The IUPAC name of 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide (CID 167520967) is 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide.
What is the SMILES notation for 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
The canonical SMILES for 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide is Cc1c(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ncccc6s5)c4C3)nc2C2CC2)cnn1CC(C)(C)C.
What is the InChIKey of 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
The InChIKey is WRAGJNAVQVVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7OS/c1-20-25(17-35-40(20)19-33(2,3)4)23-12-13-28(36-29(23)22-10-11-22)39-16-14-21-7-5-8-24(26(21)18-39)31(41)38-32-37-30-27(42-32)9-6-15-34-30/h5-9,12-13,15,17,22H,10-11,14,16,18-19H2,1-4H3,(H,34,37,38,41).
What are the key properties of 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide has a molecular weight of 577.76 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide is sourced from PubChem (CID 167520967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).