(4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol

C19H23F2N7O — CID 127036732

IUPAC(4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc2cnc(Nc3ccnc(N4CC[C@H](O)C(F)(F)C4)n3)cc2n1C(C)C
InChIInChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1
InChIKeySXBQBMPZTKSXKA-HNNXBMFYSA-N
MW403.44 g/mol
LogP3.06
Rot. Bonds4

About (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol

(4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 127036732) has the molecular formula C19H23F2N7O and a molecular weight of 403.44 g/mol. Its IUPAC name is (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name(4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
PubChem CID127036732
Molecular FormulaC19H23F2N7O
Molecular Weight403.44 g/mol
Exact Mass403.19
IUPAC Name(4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
SMILESCc1nc2cnc(Nc3ccnc(N4CC[C@H](O)C(F)(F)C4)n3)cc2n1C(C)C
InChIInChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1
InChIKeySXBQBMPZTKSXKA-HNNXBMFYSA-N
XLogP3.06
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol (CID 127036732) is (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol is Cc1nc2cnc(Nc3ccnc(N4CC[C@H](O)C(F)(F)C4)n3)cc2n1C(C)C.
What is the InChIKey of (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is SXBQBMPZTKSXKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23F2N7O/c1-11(2)28-12(3)24-13-9-23-17(8-14(13)28)25-16-4-6-22-18(26-16)27-7-5-15(29)19(20,21)10-27/h4,6,8-9,11,15,29H,5,7,10H2,1-3H3,(H,22,23,25,26)/t15-/m0/s1.
What are the key properties of (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
(4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 403.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 127036732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).