(5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine

C30H28FN5O2 — CID 77105698

IUPAC(5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine
SMILESCC(C)(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1
InChIInChI=1S/C30H28FN5O2/c1-29(2,3)38-18-11-9-17(10-12-18)22-14-13-20-23(19-7-6-8-21(31)24(19)37-27(20)34-22)30(4,5)28-35-25-26(36-28)33-16-15-32-25/h6-16,23H,1-5H3,(H,32,33,35,36)/t23-/m0/s1
InChIKeyCHAAKBZKWZRRGK-QHCPKHFHSA-N
MW509.59 g/mol
LogP6.95
Rot. Bonds4

About (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine

(5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine (PubChem CID 77105698) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine.

Molecular Properties

Compound Name(5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine
PubChem CID77105698
Molecular FormulaC30H28FN5O2
Molecular Weight509.59 g/mol
Exact Mass509.22
IUPAC Name(5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine
SMILESCC(C)(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1
InChIInChI=1S/C30H28FN5O2/c1-29(2,3)38-18-11-9-17(10-12-18)22-14-13-20-23(19-7-6-8-21(31)24(19)37-27(20)34-22)30(4,5)28-35-25-26(36-28)33-16-15-32-25/h6-16,23H,1-5H3,(H,32,33,35,36)/t23-/m0/s1
InChIKeyCHAAKBZKWZRRGK-QHCPKHFHSA-N
XLogP6.95
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine?
The IUPAC name of (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine (CID 77105698) is (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine.
What is the SMILES notation for (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine?
The canonical SMILES for (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine is CC(C)(C)Oc1ccc(-c2ccc3c(n2)Oc2c(F)cccc2[C@@H]3C(C)(C)c2nc3nccnc3[nH]2)cc1.
What is the InChIKey of (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine?
The InChIKey is CHAAKBZKWZRRGK-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-29(2,3)38-18-11-9-17(10-12-18)22-14-13-20-23(19-7-6-8-21(31)24(19)37-27(20)34-22)30(4,5)28-35-25-26(36-28)33-16-15-32-25/h6-16,23H,1-5H3,(H,32,33,35,36)/t23-/m0/s1.
What are the key properties of (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine?
(5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine has a molecular weight of 509.59 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-fluoro-5-[2-(1H-imidazo[4,5-b]pyrazin-2-yl)propan-2-yl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5H-chromeno[2,3-b]pyridine is sourced from PubChem (CID 77105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).