[3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol

C24H23F3N6O — CID 162665664

IUPAC[3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol
SMILESOCc1ncccc1-c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)19-12-31-23(32-15-3-1-7-28-10-15)33-22(19)18-11-30-20-9-14(5-6-17(18)20)16-4-2-8-29-21(16)13-34/h2,4-6,8-9,11-12,15,28,30,34H,1,3,7,10,13H2,(H,31,32,33)/t15-/m0/s1
InChIKeyPSUOIOJISBKJMX-HNNXBMFYSA-N
MW468.48 g/mol
LogP4.36
Rot. Bonds5

About [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol

[3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol (PubChem CID 162665664) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol
PubChem CID162665664
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name[3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol
SMILESOCc1ncccc1-c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C24H23F3N6O/c25-24(26,27)19-12-31-23(32-15-3-1-7-28-10-15)33-22(19)18-11-30-20-9-14(5-6-17(18)20)16-4-2-8-29-21(16)13-34/h2,4-6,8-9,11-12,15,28,30,34H,1,3,7,10,13H2,(H,31,32,33)/t15-/m0/s1
InChIKeyPSUOIOJISBKJMX-HNNXBMFYSA-N
XLogP4.36
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[6-[4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 117803897
2-(4-(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-1H-indol-6-yl)piperidin-1-yl)ethanol
CID 44564995
2-(4-(2-(4-fluorophenyl)-3-(pyrimidin-4-yl)-1H-indol-6-yl)piperidin-1-yl)ethanol
CID 44565045
(2S)-2-[[6-[3-fluoro-4-(hydroxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162669809
1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 664724
(2-(5-fluoro-1H-indol-4-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methanol
CID 53378054
3-(4-Piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-methanol
CID 58266664
1-(5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 658534
(2S)-2-phenyl-2-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 162663220
(2S)-2-phenyl-2-[(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 162669437
4-(1H-indol-6-yl)-6-morpholino-N-(2-(pyridin-3-yl)ethyl)pyrimidin-2-amine
CID 16222214
4-(1H-indol-6-yl)-6-morpholino-N-(2-(pyridin-4-yl)ethyl)pyrimidin-2-amine
CID 16222216

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol (CID 162665664) is [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol is OCc1ncccc1-c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1.
What is the InChIKey of [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol?
The InChIKey is PSUOIOJISBKJMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c25-24(26,27)19-12-31-23(32-15-3-1-7-28-10-15)33-22(19)18-11-30-20-9-14(5-6-17(18)20)16-4-2-8-29-21(16)13-34/h2,4-6,8-9,11-12,15,28,30,34H,1,3,7,10,13H2,(H,31,32,33)/t15-/m0/s1.
What are the key properties of [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol?
[3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol has a molecular weight of 468.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indol-6-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 162665664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).