1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C24H27F2N7O2 — CID 166961642

IUPAC1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C24H27F2N7O2/c1-23(2,34)14-32-11-15(8-29-32)16-12-33-18(9-28-22(33)7-19(16)35-3)17-5-4-6-21(30-17)31-20-10-27-13-24(20,25)26/h4-9,11-12,20,27,34H,10,13-14H2,1-3H3,(H,30,31)
InChIKeyWHCMKDGCCYRJKV-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.06
Rot. Bonds7

About 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 166961642) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID166961642
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC Name1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C24H27F2N7O2/c1-23(2,34)14-32-11-15(8-29-32)16-12-33-18(9-28-22(33)7-19(16)35-3)17-5-4-6-21(30-17)31-20-10-27-13-24(20,25)26/h4-9,11-12,20,27,34H,10,13-14H2,1-3H3,(H,30,31)
InChIKeyWHCMKDGCCYRJKV-UHFFFAOYSA-N
XLogP3.06
TPSA101.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[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-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 166961642) is 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is COc1cc2ncc(-c3cccc(NC4CNCC4(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1.
What is the InChIKey of 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is WHCMKDGCCYRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-23(2,34)14-32-11-15(8-29-32)16-12-33-18(9-28-22(33)7-19(16)35-3)17-5-4-6-21(30-17)31-20-10-27-13-24(20,25)26/h4-9,11-12,20,27,34H,10,13-14H2,1-3H3,(H,30,31).
What are the key properties of 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 483.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[6-[(4,4-difluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166961642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).