N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide

C22H23N5O2 — CID 90302740

IUPACN-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide
SMILESCOc1ccc(-c2cc3cc(NC(=O)n4cc(C)c(C)n4)cnc3[nH]2)c(C)c1C
InChIInChI=1S/C22H23N5O2/c1-12-11-27(26-15(12)4)22(28)24-17-8-16-9-19(25-21(16)23-10-17)18-6-7-20(29-5)14(3)13(18)2/h6-11H,1-5H3,(H,23,25)(H,24,28)
InChIKeyCJWYETJFKJLRKX-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.75
Rot. Bonds3

About N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide

N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide (PubChem CID 90302740) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide
PubChem CID90302740
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide
SMILESCOc1ccc(-c2cc3cc(NC(=O)n4cc(C)c(C)n4)cnc3[nH]2)c(C)c1C
InChIInChI=1S/C22H23N5O2/c1-12-11-27(26-15(12)4)22(28)24-17-8-16-9-19(25-21(16)23-10-17)18-6-7-20(29-5)14(3)13(18)2/h6-11H,1-5H3,(H,23,25)(H,24,28)
InChIKeyCJWYETJFKJLRKX-UHFFFAOYSA-N
XLogP4.75
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide?
The IUPAC name of N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide (CID 90302740) is N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide is COc1ccc(-c2cc3cc(NC(=O)n4cc(C)c(C)n4)cnc3[nH]2)c(C)c1C.
What is the InChIKey of N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide?
The InChIKey is CJWYETJFKJLRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-12-11-27(26-15(12)4)22(28)24-17-8-16-9-19(25-21(16)23-10-17)18-6-7-20(29-5)14(3)13(18)2/h6-11H,1-5H3,(H,23,25)(H,24,28).
What are the key properties of N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide?
N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,4-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 90302740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).