6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

C23H24FN7O — CID 166961655

IUPAC6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C23H24FN7O/c1-32-21-7-23-26-11-20(18-3-2-4-22(28-18)29-19-10-25-9-17(19)24)30(23)13-16(21)14-8-27-31(12-14)15-5-6-15/h2-4,7-8,11-13,15,17,19,25H,5-6,9-10H2,1H3,(H,28,29)/t17-,19-/m0/s1
InChIKeyCMKUJKFQBWYWBJ-HKUYNNGSSA-N
MW433.49 g/mol
LogP3.33
Rot. Bonds6

About 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961655) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961655
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C23H24FN7O/c1-32-21-7-23-26-11-20(18-3-2-4-22(28-18)29-19-10-25-9-17(19)24)30(23)13-16(21)14-8-27-31(12-14)15-5-6-15/h2-4,7-8,11-13,15,17,19,25H,5-6,9-10H2,1H3,(H,28,29)/t17-,19-/m0/s1
InChIKeyCMKUJKFQBWYWBJ-HKUYNNGSSA-N
XLogP3.33
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 166961655) is 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C2CC2)c1.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is CMKUJKFQBWYWBJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-32-21-7-23-26-11-20(18-3-2-4-22(28-18)29-19-10-25-9-17(19)24)30(23)13-16(21)14-8-27-31(12-14)15-5-6-15/h2-4,7-8,11-13,15,17,19,25H,5-6,9-10H2,1H3,(H,28,29)/t17-,19-/m0/s1.
What are the key properties of 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 433.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopropylpyrazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).