2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile

C23H26FN9O — CID 78323189

IUPAC2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)n2)cnc1N1CC[C@H](F)C1
InChIInChI=1S/C23H26FN9O/c24-19-2-4-32(15-19)22-17(12-25)11-18(13-27-22)21-1-3-26-23(30-21)29-20-14-28-33(16-20)6-5-31-7-9-34-10-8-31/h1,3,11,13-14,16,19H,2,4-10,15H2,(H,26,29,30)/t19-/m0/s1
InChIKeyKFUBANNOQZGHJW-IBGZPJMESA-N
MW463.52 g/mol
LogP2.23
Rot. Bonds7

About 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile

2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 78323189) has the molecular formula C23H26FN9O and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID78323189
Molecular FormulaC23H26FN9O
Molecular Weight463.52 g/mol
Exact Mass463.22
IUPAC Name2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)n2)cnc1N1CC[C@H](F)C1
InChIInChI=1S/C23H26FN9O/c24-19-2-4-32(15-19)22-17(12-25)11-18(13-27-22)21-1-3-26-23(30-21)29-20-14-28-33(16-20)6-5-31-7-9-34-10-8-31/h1,3,11,13-14,16,19H,2,4-10,15H2,(H,26,29,30)/t19-/m0/s1
InChIKeyKFUBANNOQZGHJW-IBGZPJMESA-N
XLogP2.23
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile (CID 78323189) is 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)n2)cnc1N1CC[C@H](F)C1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is KFUBANNOQZGHJW-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26FN9O/c24-19-2-4-32(15-19)22-17(12-25)11-18(13-27-22)21-1-3-26-23(30-21)29-20-14-28-33(16-20)6-5-31-7-9-34-10-8-31/h1,3,11,13-14,16,19H,2,4-10,15H2,(H,26,29,30)/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 463.52 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78323189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).