[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone

C27H30N6O3 — CID 166245190

IUPAC[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C27H30N6O3/c1-15(2)33-26-23(11-29-33)22(10-24(30-26)21-8-16(3)36-17(21)4)27(35)31-12-18-6-5-7-28-25(18)32-14-20(34)9-19(32)13-31/h5-8,10-11,15,19-20,34H,9,12-14H2,1-4H3/t19-,20+/m0/s1
InChIKeyGFNZAWTYHFJFFB-VQTJNVASSA-N
MW486.58 g/mol
LogP3.88
Rot. Bonds3

About [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone

[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone (PubChem CID 166245190) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone.

Molecular Properties

Compound Name[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
PubChem CID166245190
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
SMILESCc1cc(-c2cc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C27H30N6O3/c1-15(2)33-26-23(11-29-33)22(10-24(30-26)21-8-16(3)36-17(21)4)27(35)31-12-18-6-5-7-28-25(18)32-14-20(34)9-19(32)13-31/h5-8,10-11,15,19-20,34H,9,12-14H2,1-4H3/t19-,20+/m0/s1
InChIKeyGFNZAWTYHFJFFB-VQTJNVASSA-N
XLogP3.88
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
The IUPAC name of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone (CID 166245190) is [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone.
What is the SMILES notation for [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
The canonical SMILES for [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone is Cc1cc(-c2cc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
The InChIKey is GFNZAWTYHFJFFB-VQTJNVASSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-15(2)33-26-23(11-29-33)22(10-24(30-26)21-8-16(3)36-17(21)4)27(35)31-12-18-6-5-7-28-25(18)32-14-20(34)9-19(32)13-31/h5-8,10-11,15,19-20,34H,9,12-14H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone?
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone has a molecular weight of 486.58 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[(4R,6S)-4-hydroxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone is sourced from PubChem (CID 166245190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).