4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine

C32H35Cl2FN6O3 — CID 170708619

IUPAC4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine
SMILESC[C@@H](Oc1ccc2c(c1)c(-c1cnc(N3CC(C)(N4CCOCC4)C3)c(F)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl
InChIInChI=1S/C32H35Cl2FN6O3/c1-20(29-24(33)16-36-17-25(29)34)44-22-6-7-27-23(14-22)30(38-41(27)28-5-3-4-10-43-28)21-13-26(35)31(37-15-21)39-18-32(2,19-39)40-8-11-42-12-9-40/h6-7,13-17,20,28H,3-5,8-12,18-19H2,1-2H3/t20-,28?/m1/s1
InChIKeyPGHSJNRYZRYVJP-HFLPEKOISA-N
MW641.58 g/mol
LogP6.69
Rot. Bonds7

About 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine

4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine (PubChem CID 170708619) has the molecular formula C32H35Cl2FN6O3 and a molecular weight of 641.58 g/mol. Its IUPAC name is 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine
PubChem CID170708619
Molecular FormulaC32H35Cl2FN6O3
Molecular Weight641.58 g/mol
Exact Mass640.21
IUPAC Name4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine
SMILESC[C@@H](Oc1ccc2c(c1)c(-c1cnc(N3CC(C)(N4CCOCC4)C3)c(F)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl
InChIInChI=1S/C32H35Cl2FN6O3/c1-20(29-24(33)16-36-17-25(29)34)44-22-6-7-27-23(14-22)30(38-41(27)28-5-3-4-10-43-28)21-13-26(35)31(37-15-21)39-18-32(2,19-39)40-8-11-42-12-9-40/h6-7,13-17,20,28H,3-5,8-12,18-19H2,1-2H3/t20-,28?/m1/s1
InChIKeyPGHSJNRYZRYVJP-HFLPEKOISA-N
XLogP6.69
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.58
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine?
The IUPAC name of 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine (CID 170708619) is 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine is C[C@@H](Oc1ccc2c(c1)c(-c1cnc(N3CC(C)(N4CCOCC4)C3)c(F)c1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.
What is the InChIKey of 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine?
The InChIKey is PGHSJNRYZRYVJP-HFLPEKOISA-N. The full InChI is InChI=1S/C32H35Cl2FN6O3/c1-20(29-24(33)16-36-17-25(29)34)44-22-6-7-27-23(14-22)30(38-41(27)28-5-3-4-10-43-28)21-13-26(35)31(37-15-21)39-18-32(2,19-39)40-8-11-42-12-9-40/h6-7,13-17,20,28H,3-5,8-12,18-19H2,1-2H3/t20-,28?/m1/s1.
What are the key properties of 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine?
4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine has a molecular weight of 641.58 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine is sourced from PubChem (CID 170708619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).