1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C23H26FN7O — CID 166961571

IUPAC1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2ccc3ncc(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)n3c2)cn1
InChIInChI=1S/C23H26FN7O/c1-23(2,32)14-30-12-16(8-27-30)15-6-7-22-26-11-20(31(22)13-15)18-4-3-5-21(28-18)29-19-10-25-9-17(19)24/h3-8,11-13,17,19,25,32H,9-10,14H2,1-2H3,(H,28,29)/t17-,19-/m0/s1
InChIKeyWYMFRBGEYAFECV-HKUYNNGSSA-N
MW435.51 g/mol
LogP2.75
Rot. Bonds6

About 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 166961571) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID166961571
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2ccc3ncc(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)n3c2)cn1
InChIInChI=1S/C23H26FN7O/c1-23(2,32)14-30-12-16(8-27-30)15-6-7-22-26-11-20(31(22)13-15)18-4-3-5-21(28-18)29-19-10-25-9-17(19)24/h3-8,11-13,17,19,25,32H,9-10,14H2,1-2H3,(H,28,29)/t17-,19-/m0/s1
InChIKeyWYMFRBGEYAFECV-HKUYNNGSSA-N
XLogP2.75
TPSA92.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 166961571) is 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2ccc3ncc(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)n3c2)cn1.
What is the InChIKey of 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is WYMFRBGEYAFECV-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-23(2,32)14-30-12-16(8-27-30)15-6-7-22-26-11-20(31(22)13-15)18-4-3-5-21(28-18)29-19-10-25-9-17(19)24/h3-8,11-13,17,19,25,32H,9-10,14H2,1-2H3,(H,28,29)/t17-,19-/m0/s1.
What are the key properties of 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 435.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166961571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).