6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

C24H31FN6O4 — CID 121409317

IUPAC6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(c3c[nH]c4ncc(F)cc34)CC2)n1
InChIInChI=1S/C24H31FN6O4/c1-14(12-32)28-23(33)20-9-21(30-24(29-20)35-15(2)13-34-3)31-6-4-16(5-7-31)19-11-27-22-18(19)8-17(25)10-26-22/h8-11,14-16,32H,4-7,12-13H2,1-3H3,(H,26,27)(H,28,33)/t14-,15-/m1/s1
InChIKeyQUGURVIOEHNKIM-HUUCEWRRSA-N
MW486.55 g/mol
LogP2.40
Rot. Bonds9

About 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide

6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (PubChem CID 121409317) has the molecular formula C24H31FN6O4 and a molecular weight of 486.55 g/mol. Its IUPAC name is 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
PubChem CID121409317
Molecular FormulaC24H31FN6O4
Molecular Weight486.55 g/mol
Exact Mass486.24
IUPAC Name6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide
SMILESCOC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(c3c[nH]c4ncc(F)cc34)CC2)n1
InChIInChI=1S/C24H31FN6O4/c1-14(12-32)28-23(33)20-9-21(30-24(29-20)35-15(2)13-34-3)31-6-4-16(5-7-31)19-11-27-22-18(19)8-17(25)10-26-22/h8-11,14-16,32H,4-7,12-13H2,1-3H3,(H,26,27)(H,28,33)/t14-,15-/m1/s1
InChIKeyQUGURVIOEHNKIM-HUUCEWRRSA-N
XLogP2.40
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide with MolForge

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Related Compounds

US11001586, Example 55
CID 146402892
(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 146403042
(S)-N-(3-(2-hydroxyethylcarbamoyl)phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187801
(2S)-N-[3-(1,3-dihydroxypropan-2-ylcarbamoyl)phenyl]-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 44543083
6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide
CID 66888945
US11001586, Example 70
CID 146402900
US11001586, Example 35
CID 146402921
US11001586, Example 29
CID 146402979
US11001586, Example 56
CID 146403027
US11274098, Example 26
CID 153407345
[6-[[5-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166636517
4-[[5-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
CID 86279756

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide (CID 121409317) is 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is COC[C@@H](C)Oc1nc(C(=O)N[C@H](C)CO)cc(N2CCC(c3c[nH]c4ncc(F)cc34)CC2)n1.
What is the InChIKey of 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
The InChIKey is QUGURVIOEHNKIM-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H31FN6O4/c1-14(12-32)28-23(33)20-9-21(30-24(29-20)35-15(2)13-34-3)31-6-4-16(5-7-31)19-11-27-22-18(19)8-17(25)10-26-22/h8-11,14-16,32H,4-7,12-13H2,1-3H3,(H,26,27)(H,28,33)/t14-,15-/m1/s1.
What are the key properties of 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide?
6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1-hydroxypropan-2-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 121409317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).