7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride

C25H30ClFN4O3 — CID 67774625

IUPAC7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F.Cl
InChIInChI=1S/C25H29FN4O3.ClH/c1-14-22(25(31)30-16-5-8-27-9-6-16)24-23(29-14)17(7-10-28-24)18-11-19(26)21(32-2)12-20(18)33-13-15-3-4-15;/h7,10-12,15-16,27,29H,3-6,8-9,13H2,1-2H3,(H,30,31);1H
InChIKeyDZZFIUBOSNAIHG-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.38
Rot. Bonds7

About 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride

7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride (PubChem CID 67774625) has the molecular formula C25H30ClFN4O3 and a molecular weight of 488.99 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
PubChem CID67774625
Molecular FormulaC25H30ClFN4O3
Molecular Weight488.99 g/mol
Exact Mass488.20
IUPAC Name7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F.Cl
InChIInChI=1S/C25H29FN4O3.ClH/c1-14-22(25(31)30-16-5-8-27-9-6-16)24-23(29-14)17(7-10-28-24)18-11-19(26)21(32-2)12-20(18)33-13-15-3-4-15;/h7,10-12,15-16,27,29H,3-6,8-9,13H2,1-2H3,(H,30,31);1H
InChIKeyDZZFIUBOSNAIHG-UHFFFAOYSA-N
XLogP4.38
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride (CID 67774625) is 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride is COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F.Cl.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
The InChIKey is DZZFIUBOSNAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3.ClH/c1-14-22(25(31)30-16-5-8-27-9-6-16)24-23(29-14)17(7-10-28-24)18-11-19(26)21(32-2)12-20(18)33-13-15-3-4-15;/h7,10-12,15-16,27,29H,3-6,8-9,13H2,1-2H3,(H,30,31);1H.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride?
7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride has a molecular weight of 488.99 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-fluoro-4-methoxyphenyl]-2-methyl-N-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67774625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).