2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide

C28H29N7OS — CID 118139005

IUPAC2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
SMILESCn1cc(-c2cc3ncnc(-c4ccc5c(c4)CCCC5NC(=O)c4cnc(C(C)(C)C)s4)c3[nH]2)cn1
InChIInChI=1S/C28H29N7OS/c1-28(2,3)27-29-13-23(37-27)26(36)34-20-7-5-6-16-10-17(8-9-19(16)20)24-25-22(30-15-31-24)11-21(33-25)18-12-32-35(4)14-18/h8-15,20,33H,5-7H2,1-4H3,(H,34,36)
InChIKeyAUFOFHWXVXFOIB-UHFFFAOYSA-N
MW511.66 g/mol
LogP5.59
Rot. Bonds4

About 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118139005) has the molecular formula C28H29N7OS and a molecular weight of 511.66 g/mol. Its IUPAC name is 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID118139005
Molecular FormulaC28H29N7OS
Molecular Weight511.66 g/mol
Exact Mass511.22
IUPAC Name2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
SMILESCn1cc(-c2cc3ncnc(-c4ccc5c(c4)CCCC5NC(=O)c4cnc(C(C)(C)C)s4)c3[nH]2)cn1
InChIInChI=1S/C28H29N7OS/c1-28(2,3)27-29-13-23(37-27)26(36)34-20-7-5-6-16-10-17(8-9-19(16)20)24-25-22(30-15-31-24)11-21(33-25)18-12-32-35(4)14-18/h8-15,20,33H,5-7H2,1-4H3,(H,34,36)
InChIKeyAUFOFHWXVXFOIB-UHFFFAOYSA-N
XLogP5.59
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 118138979
3-[(2-methylpropan-2-yl)oxy]-N-[(1S)-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
CID 172731006
N-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(trifluoromethyl)benzamide
CID 118139118
5-tert-butyl-N-[2-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 151849988
N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 123380838
N-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330986
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021
1-tert-butyl-N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]triazole-4-carboxamide
CID 135355997
1-tert-butyl-N-[(5S)-2-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]triazole-4-carboxamide
CID 135356334
N-[6-(6-amino-5-methanimidoylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-tert-butyl-1,3-thiazole-2-carboxamide
CID 144863071
6-N-[(1-methylpyrazol-4-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686152
N-[6-(2-aminopyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 118139139

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide (CID 118139005) is 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide is Cn1cc(-c2cc3ncnc(-c4ccc5c(c4)CCCC5NC(=O)c4cnc(C(C)(C)C)s4)c3[nH]2)cn1.
What is the InChIKey of 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AUFOFHWXVXFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7OS/c1-28(2,3)27-29-13-23(37-27)26(36)34-20-7-5-6-16-10-17(8-9-19(16)20)24-25-22(30-15-31-24)11-21(33-25)18-12-32-35(4)14-18/h8-15,20,33H,5-7H2,1-4H3,(H,34,36).
What are the key properties of 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 511.66 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[6-[6-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118139005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).