(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C26H26ClF2N7O3 — CID 178130417

IUPAC(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CN(C(=O)C1(F)CC(N)C1)CC2
InChIInChI=1S/C26H26ClF2N7O3/c1-14-20-12-34(25(38)26(29)7-17(30)8-26)4-5-35(20)33-23(14)15-6-22(24-18(27)10-32-36(24)11-15)39-13-21(37)19-3-2-16(28)9-31-19/h2-3,6,9-11,17,21,37H,4-5,7-8,12-13,30H2,1H3
InChIKeyWBPGBUUHWAJKTO-UHFFFAOYSA-N
MW557.99 g/mol
LogP2.98
Rot. Bonds6

About (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 178130417) has the molecular formula C26H26ClF2N7O3 and a molecular weight of 557.99 g/mol. Its IUPAC name is (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID178130417
Molecular FormulaC26H26ClF2N7O3
Molecular Weight557.99 g/mol
Exact Mass557.18
IUPAC Name(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CN(C(=O)C1(F)CC(N)C1)CC2
InChIInChI=1S/C26H26ClF2N7O3/c1-14-20-12-34(25(38)26(29)7-17(30)8-26)4-5-35(20)33-23(14)15-6-22(24-18(27)10-32-36(24)11-15)39-13-21(37)19-3-2-16(28)9-31-19/h2-3,6,9-11,17,21,37H,4-5,7-8,12-13,30H2,1H3
InChIKeyWBPGBUUHWAJKTO-UHFFFAOYSA-N
XLogP2.98
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.99
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 178130417) is (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is Cc1c(-c2cc(OCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CN(C(=O)C1(F)CC(N)C1)CC2.
What is the InChIKey of (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is WBPGBUUHWAJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N7O3/c1-14-20-12-34(25(38)26(29)7-17(30)8-26)4-5-35(20)33-23(14)15-6-22(24-18(27)10-32-36(24)11-15)39-13-21(37)19-3-2-16(28)9-31-19/h2-3,6,9-11,17,21,37H,4-5,7-8,12-13,30H2,1H3.
What are the key properties of (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 557.99 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 178130417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).