4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide

C20H16ClN7O — CID 67318982

IUPAC4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C20H16ClN7O/c1-2-28-18(15(21)10-25-28)20(29)26-16-7-11(8-17-14(16)9-24-27-17)12-3-5-22-19-13(12)4-6-23-19/h3-10H,2H2,1H3,(H,22,23)(H,24,27)(H,26,29)
InChIKeyULXNUGHZPYEGNB-UHFFFAOYSA-N
MW405.85 g/mol
LogP4.23
Rot. Bonds4

About 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide

4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide (PubChem CID 67318982) has the molecular formula C20H16ClN7O and a molecular weight of 405.85 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide
PubChem CID67318982
Molecular FormulaC20H16ClN7O
Molecular Weight405.85 g/mol
Exact Mass405.11
IUPAC Name4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C20H16ClN7O/c1-2-28-18(15(21)10-25-28)20(29)26-16-7-11(8-17-14(16)9-24-27-17)12-3-5-22-19-13(12)4-6-23-19/h3-10H,2H2,1H3,(H,22,23)(H,24,27)(H,26,29)
InChIKeyULXNUGHZPYEGNB-UHFFFAOYSA-N
XLogP4.23
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide (CID 67318982) is 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is ULXNUGHZPYEGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O/c1-2-28-18(15(21)10-25-28)20(29)26-16-7-11(8-17-14(16)9-24-27-17)12-3-5-22-19-13(12)4-6-23-19/h3-10H,2H2,1H3,(H,22,23)(H,24,27)(H,26,29).
What are the key properties of 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 405.85 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 67318982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).