N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

C23H31FN8O2 — CID 134443076

IUPACN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
SMILESCO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCOCC3)nn4C(C)C)n2)C[C@H]1F
InChIInChI=1S/C23H31FN8O2/c1-15(2)32-18-12-21(26-13-16(18)22(29-32)30-8-10-34-11-9-30)27-20-4-6-25-23(28-20)31-7-5-19(33-3)17(24)14-31/h4,6,12-13,15,17,19H,5,7-11,14H2,1-3H3,(H,25,26,27,28)/t17-,19+/m1/s1
InChIKeyQSJQOJIOUYOTOE-MJGOQNOKSA-N
MW470.55 g/mol
LogP2.95
Rot. Bonds6

About N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 134443076) has the molecular formula C23H31FN8O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
PubChem CID134443076
Molecular FormulaC23H31FN8O2
Molecular Weight470.55 g/mol
Exact Mass470.26
IUPAC NameN-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
SMILESCO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCOCC3)nn4C(C)C)n2)C[C@H]1F
InChIInChI=1S/C23H31FN8O2/c1-15(2)32-18-12-21(26-13-16(18)22(29-32)30-8-10-34-11-9-30)27-20-4-6-25-23(28-20)31-7-5-19(33-3)17(24)14-31/h4,6,12-13,15,17,19H,5,7-11,14H2,1-3H3,(H,25,26,27,28)/t17-,19+/m1/s1
InChIKeyQSJQOJIOUYOTOE-MJGOQNOKSA-N
XLogP2.95
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine with MolForge

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Related Compounds

(3S,4R)-3-fluoro-1-[4-[[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 122509956
(3S,4R)-3-fluoro-1-[4-[[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 122509911
3-fluoro-1-[4-[[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 123845664
1-[6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]-3-methylimidazolidin-2-one
CID 122509893
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546641
1-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3-carboxylic acid
CID 155142868
1-[6-[[2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3,4-diol
CID 123868629
(1R)-1-[6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 118661748
(1R)-1-[6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 118661749
CID 156802196
CID 156802196
2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine
CID 170620820
2-[[6-[[2-(3-fluoro-4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]amino]propanenitrile
CID 123510028

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine (CID 134443076) is N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine is CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)c(N3CCOCC3)nn4C(C)C)n2)C[C@H]1F.
What is the InChIKey of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is QSJQOJIOUYOTOE-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H31FN8O2/c1-15(2)32-18-12-21(26-13-16(18)22(29-32)30-8-10-34-11-9-30)27-20-4-6-25-23(28-20)31-7-5-19(33-3)17(24)14-31/h4,6,12-13,15,17,19H,5,7-11,14H2,1-3H3,(H,25,26,27,28)/t17-,19+/m1/s1.
What are the key properties of N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 470.55 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 134443076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).