5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

C18H14BrClF3N5O — CID 172609927

IUPAC5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCn1cc(-c2cnc(C(=O)NC3(C(F)(F)F)CC3)c(Cl)c2)c2c(N)ncc(Br)c21
InChIInChI=1S/C18H14BrClF3N5O/c1-28-7-9(12-14(28)10(19)6-26-15(12)24)8-4-11(20)13(25-5-8)16(29)27-17(2-3-17)18(21,22)23/h4-7H,2-3H2,1H3,(H2,24,26)(H,27,29)
InChIKeyLUBHLCYYQDINSB-UHFFFAOYSA-N
MW488.70 g/mol
LogP4.46
Rot. Bonds3

About 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 172609927) has the molecular formula C18H14BrClF3N5O and a molecular weight of 488.70 g/mol. Its IUPAC name is 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID172609927
Molecular FormulaC18H14BrClF3N5O
Molecular Weight488.70 g/mol
Exact Mass487.00
IUPAC Name5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCn1cc(-c2cnc(C(=O)NC3(C(F)(F)F)CC3)c(Cl)c2)c2c(N)ncc(Br)c21
InChIInChI=1S/C18H14BrClF3N5O/c1-28-7-9(12-14(28)10(19)6-26-15(12)24)8-4-11(20)13(25-5-8)16(29)27-17(2-3-17)18(21,22)23/h4-7H,2-3H2,1H3,(H2,24,26)(H,27,29)
InChIKeyLUBHLCYYQDINSB-UHFFFAOYSA-N
XLogP4.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.70
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (CID 172609927) is 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is Cn1cc(-c2cnc(C(=O)NC3(C(F)(F)F)CC3)c(Cl)c2)c2c(N)ncc(Br)c21.
What is the InChIKey of 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is LUBHLCYYQDINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClF3N5O/c1-28-7-9(12-14(28)10(19)6-26-15(12)24)8-4-11(20)13(25-5-8)16(29)27-17(2-3-17)18(21,22)23/h4-7H,2-3H2,1H3,(H2,24,26)(H,27,29).
What are the key properties of 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 488.70 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-7-bromo-1-methylpyrrolo[3,2-c]pyridin-3-yl)-3-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 172609927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).