UAYNQUVYXOQXGT-HXUWFJFHSA-N

Name: UAYNQUVYXOQXGT-HXUWFJFHSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₉H₃₇ClF₂N₆O₃ — CID 118881477

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2R)-1-[4-chloro-3-[4-[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

SMILESCNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(CC(F)F)CC4)C3)n2)c1

InChIInChI=1S/C29H37ClF2N6O3/c1-17-26(25-18(2)36-41-19(25)3)34-27(22-11-21(5-6-23(22)30)40-14-20(39)12-33-4)35-28(17)38-15-29(16-38)7-9-37(10-8-29)13-24(31)32/h5-6,11,20,24,33,39H,7-10,12-16H2,1-4H3/t20-/m1/s1

InChIKeyUAYNQUVYXOQXGT-HXUWFJFHSA-N

MW591.10 g/mol

LogP4.50

Rot. Bonds10

About UAYNQUVYXOQXGT-HXUWFJFHSA-N

UAYNQUVYXOQXGT-HXUWFJFHSA-N (PubChem CID 118881477) has the molecular formula C₂₉H₃₇ClF₂N₆O₃ and a molecular weight of 591.10 g/mol. Its IUPAC name is (2R)-1-[4-chloro-3-[4-[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name	UAYNQUVYXOQXGT-HXUWFJFHSA-N
PubChem CID	118881477
Molecular Formula	C₂₉H₃₇ClF₂N₆O₃
Molecular Weight	591.10 g/mol
Exact Mass	590.26
IUPAC Name	(2R)-1-[4-chloro-3-[4-[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILES	CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(CC(F)F)CC4)C3)n2)c1
InChI	InChI=1S/C29H37ClF2N6O3/c1-17-26(25-18(2)36-41-19(25)3)34-27(22-11-21(5-6-23(22)30)40-14-20(39)12-33-4)35-28(17)38-15-29(16-38)7-9-37(10-8-29)13-24(31)32/h5-6,11,20,24,33,39H,7-10,12-16H2,1-4H3/t20-/m1/s1
InChIKey	UAYNQUVYXOQXGT-HXUWFJFHSA-N
XLogP	4.50
TPSA	99.78 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.10
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of UAYNQUVYXOQXGT-HXUWFJFHSA-N?

The IUPAC name of UAYNQUVYXOQXGT-HXUWFJFHSA-N (CID 118881477) is (2R)-1-[4-chloro-3-[4-[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

What is the SMILES notation for UAYNQUVYXOQXGT-HXUWFJFHSA-N?

The canonical SMILES for UAYNQUVYXOQXGT-HXUWFJFHSA-N is CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(CC(F)F)CC4)C3)n2)c1.

What is the InChIKey of UAYNQUVYXOQXGT-HXUWFJFHSA-N?

The InChIKey is UAYNQUVYXOQXGT-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H37ClF2N6O3/c1-17-26(25-18(2)36-41-19(25)3)34-27(22-11-21(5-6-23(22)30)40-14-20(39)12-33-4)35-28(17)38-15-29(16-38)7-9-37(10-8-29)13-24(31)32/h5-6,11,20,24,33,39H,7-10,12-16H2,1-4H3/t20-/m1/s1.

What are the key properties of UAYNQUVYXOQXGT-HXUWFJFHSA-N?

UAYNQUVYXOQXGT-HXUWFJFHSA-N has a molecular weight of 591.10 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for UAYNQUVYXOQXGT-HXUWFJFHSA-N is sourced from PubChem (CID 118881477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118881477 — identifiers, structure, computed properties (public domain)

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