6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

C26H24FN7O3 — CID 146310290

IUPAC6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)ncc3cc2F)cnc2oc(=O)[nH]c12
InChIInChI=1S/C26H24FN7O3/c1-13(2)33-5-4-17-9-22(32-34(17)12-23(33)35)30-21-8-15-6-18(20(27)7-16(15)10-28-21)19-11-29-25-24(14(19)3)31-26(36)37-25/h6-11,13H,4-5,12H2,1-3H3,(H,31,36)(H,28,30,32)
InChIKeyIVHKOUJMPSHPPH-UHFFFAOYSA-N
MW501.52 g/mol
LogP3.91
Rot. Bonds4

About 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 146310290) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID146310290
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC Name6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)ncc3cc2F)cnc2oc(=O)[nH]c12
InChIInChI=1S/C26H24FN7O3/c1-13(2)33-5-4-17-9-22(32-34(17)12-23(33)35)30-21-8-15-6-18(20(27)7-16(15)10-28-21)19-11-29-25-24(14(19)3)31-26(36)37-25/h6-11,13H,4-5,12H2,1-3H3,(H,31,36)(H,28,30,32)
InChIKeyIVHKOUJMPSHPPH-UHFFFAOYSA-N
XLogP3.91
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 146310290) is 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is Cc1c(-c2cc3cc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)ncc3cc2F)cnc2oc(=O)[nH]c12.
What is the InChIKey of 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is IVHKOUJMPSHPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-13(2)33-5-4-17-9-22(32-34(17)12-23(33)35)30-21-8-15-6-18(20(27)7-16(15)10-28-21)19-11-29-25-24(14(19)3)31-26(36)37-25/h6-11,13H,4-5,12H2,1-3H3,(H,31,36)(H,28,30,32).
What are the key properties of 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 501.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-fluoro-3-[(7-oxo-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-2-yl)amino]isoquinolin-6-yl]-7-methyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 146310290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).