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

C19H24FN7O — CID 90183992

IUPAC(3R,4S)-3-fluoro-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@H](F)C4)n3)cc2n1C(C)C
InChIInChI=1S/C19H24FN7O/c1-11(2)27-12(3)23-14-9-22-18(8-15(14)27)24-17-4-6-21-19(25-17)26-7-5-16(28)13(20)10-26/h4,6,8-9,11,13,16,28H,5,7,10H2,1-3H3,(H,21,22,24,25)/t13-,16+/m1/s1
InChIKeyZNCRTOWCSZYNSA-CJNGLKHVSA-N
MW385.45 g/mol
LogP2.76
Rot. Bonds4

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

(3R,4S)-3-fluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 90183992) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-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(3R,4S)-3-fluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol
PubChem CID90183992
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name(3R,4S)-3-fluoro-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@H](F)C4)n3)cc2n1C(C)C
InChIInChI=1S/C19H24FN7O/c1-11(2)27-12(3)23-14-9-22-18(8-15(14)27)24-17-4-6-21-19(25-17)26-7-5-16(28)13(20)10-26/h4,6,8-9,11,13,16,28H,5,7,10H2,1-3H3,(H,21,22,24,25)/t13-,16+/m1/s1
InChIKeyZNCRTOWCSZYNSA-CJNGLKHVSA-N
XLogP2.76
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-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 (3R,4S)-3-fluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol (CID 90183992) is (3R,4S)-3-fluoro-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 (3R,4S)-3-fluoro-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 (3R,4S)-3-fluoro-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@H](F)C4)n3)cc2n1C(C)C.
What is the InChIKey of (3R,4S)-3-fluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is ZNCRTOWCSZYNSA-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-11(2)27-12(3)23-14-9-22-18(8-15(14)27)24-17-4-6-21-19(25-17)26-7-5-16(28)13(20)10-26/h4,6,8-9,11,13,16,28H,5,7,10H2,1-3H3,(H,21,22,24,25)/t13-,16+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-ol?
(3R,4S)-3-fluoro-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 385.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-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 90183992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).