1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C25H28F3N7O2 — CID 166961617

IUPAC1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C25H28F3N7O2/c1-24(2,36)14-34-12-15(8-31-34)16-13-35-20(11-30-23(35)7-21(16)37-3)18-5-4-6-22(32-18)33-19-10-29-9-17(19)25(26,27)28/h4-8,11-13,17,19,29,36H,9-10,14H2,1-3H3,(H,32,33)/t17-,19-/m0/s1
InChIKeyAKLWVZFHNFDHCQ-HKUYNNGSSA-N
MW515.54 g/mol
LogP3.60
Rot. Bonds7

About 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 166961617) has the molecular formula C25H28F3N7O2 and a molecular weight of 515.54 g/mol. Its IUPAC name is 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID166961617
Molecular FormulaC25H28F3N7O2
Molecular Weight515.54 g/mol
Exact Mass515.23
IUPAC Name1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1
InChIInChI=1S/C25H28F3N7O2/c1-24(2,36)14-34-12-15(8-31-34)16-13-35-20(11-30-23(35)7-21(16)37-3)18-5-4-6-22(32-18)33-19-10-29-9-17(19)25(26,27)28/h4-8,11-13,17,19,29,36H,9-10,14H2,1-3H3,(H,32,33)/t17-,19-/m0/s1
InChIKeyAKLWVZFHNFDHCQ-HKUYNNGSSA-N
XLogP3.60
TPSA101.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 166961617) is 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-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-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(CC(C)(C)O)c1.
What is the InChIKey of 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is AKLWVZFHNFDHCQ-HKUYNNGSSA-N. The full InChI is InChI=1S/C25H28F3N7O2/c1-24(2,36)14-34-12-15(8-31-34)16-13-35-20(11-30-23(35)7-21(16)37-3)18-5-4-6-22(32-18)33-19-10-29-9-17(19)25(26,27)28/h4-8,11-13,17,19,29,36H,9-10,14H2,1-3H3,(H,32,33)/t17-,19-/m0/s1.
What are the key properties of 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 515.54 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-methoxy-3-[6-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166961617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).