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

C22H22FN7 — CID 166961573

IUPAC6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(-c4cnn(C5CC5)c4)cn23)n1
InChIInChI=1S/C22H22FN7/c23-17-9-24-10-19(17)28-21-3-1-2-18(27-21)20-11-25-22-7-4-14(12-29(20)22)15-8-26-30(13-15)16-5-6-16/h1-4,7-8,11-13,16-17,19,24H,5-6,9-10H2,(H,27,28)/t17-,19-/m0/s1
InChIKeyVKHCEOHPLBYGQD-HKUYNNGSSA-N
MW403.47 g/mol
LogP3.32
Rot. Bonds5

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

6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961573) has the molecular formula C22H22FN7 and a molecular weight of 403.47 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[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)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961573
Molecular FormulaC22H22FN7
Molecular Weight403.47 g/mol
Exact Mass403.19
IUPAC Name6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(-c4cnn(C5CC5)c4)cn23)n1
InChIInChI=1S/C22H22FN7/c23-17-9-24-10-19(17)28-21-3-1-2-18(27-21)20-11-25-22-7-4-14(12-29(20)22)15-8-26-30(13-15)16-5-6-16/h1-4,7-8,11-13,16-17,19,24H,5-6,9-10H2,(H,27,28)/t17-,19-/m0/s1
InChIKeyVKHCEOHPLBYGQD-HKUYNNGSSA-N
XLogP3.32
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[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)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 166961573) is 6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[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)imidazo[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)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(-c4cnn(C5CC5)c4)cn23)n1.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is VKHCEOHPLBYGQD-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H22FN7/c23-17-9-24-10-19(17)28-21-3-1-2-18(27-21)20-11-25-22-7-4-14(12-29(20)22)15-8-26-30(13-15)16-5-6-16/h1-4,7-8,11-13,16-17,19,24H,5-6,9-10H2,(H,27,28)/t17-,19-/m0/s1.
What are the key properties of 6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 403.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).