[(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid

C28H30FN9O5 — CID 166709929

IUPAC[(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid
SMILESCOc1cc(C(=O)N2C[C@H](F)C[C@@H](NC(=O)O)C2)cn2nc(-c3cc4ccnc(OCCn5cnnc5)c4n3C)c(C)c12
InChIInChI=1S/C28H30FN9O5/c1-16-23(21-8-17-4-5-30-26(25(17)35(21)2)43-7-6-36-14-31-32-15-36)34-38-11-18(9-22(42-3)24(16)38)27(39)37-12-19(29)10-20(13-37)33-28(40)41/h4-5,8-9,11,14-15,19-20,33H,6-7,10,12-13H2,1-3H3,(H,40,41)/t19-,20-/m1/s1
InChIKeyOUALHXCRXBIROH-WOJBJXKFSA-N
MW591.60 g/mol
LogP2.70
Rot. Bonds8

About [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid

[(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 166709929) has the molecular formula C28H30FN9O5 and a molecular weight of 591.60 g/mol. Its IUPAC name is [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid
PubChem CID166709929
Molecular FormulaC28H30FN9O5
Molecular Weight591.60 g/mol
Exact Mass591.24
IUPAC Name[(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid
SMILESCOc1cc(C(=O)N2C[C@H](F)C[C@@H](NC(=O)O)C2)cn2nc(-c3cc4ccnc(OCCn5cnnc5)c4n3C)c(C)c12
InChIInChI=1S/C28H30FN9O5/c1-16-23(21-8-17-4-5-30-26(25(17)35(21)2)43-7-6-36-14-31-32-15-36)34-38-11-18(9-22(42-3)24(16)38)27(39)37-12-19(29)10-20(13-37)33-28(40)41/h4-5,8-9,11,14-15,19-20,33H,6-7,10,12-13H2,1-3H3,(H,40,41)/t19-,20-/m1/s1
InChIKeyOUALHXCRXBIROH-WOJBJXKFSA-N
XLogP2.70
TPSA153.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.60
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid (CID 166709929) is [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid is COc1cc(C(=O)N2C[C@H](F)C[C@@H](NC(=O)O)C2)cn2nc(-c3cc4ccnc(OCCn5cnnc5)c4n3C)c(C)c12.
What is the InChIKey of [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid?
The InChIKey is OUALHXCRXBIROH-WOJBJXKFSA-N. The full InChI is InChI=1S/C28H30FN9O5/c1-16-23(21-8-17-4-5-30-26(25(17)35(21)2)43-7-6-36-14-31-32-15-36)34-38-11-18(9-22(42-3)24(16)38)27(39)37-12-19(29)10-20(13-37)33-28(40)41/h4-5,8-9,11,14-15,19-20,33H,6-7,10,12-13H2,1-3H3,(H,40,41)/t19-,20-/m1/s1.
What are the key properties of [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid?
[(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 591.60 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-fluoro-1-[4-methoxy-3-methyl-2-[1-methyl-7-[2-(1,2,4-triazol-4-yl)ethoxy]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 166709929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).