[1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C26H29F3N10O2 — CID 155922331

IUPAC[1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cnn(CCCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1
InChIInChI=1S/C26H29F3N10O2/c27-26(28,29)19-2-3-22-31-13-20(39(22)15-19)24-30-5-4-23(35-24)36-7-8-38(21(16-36)17-10-32-33-11-17)25(41)18-12-34-37(14-18)6-1-9-40/h2-5,12-15,17,21,32-33,40H,1,6-11,16H2
InChIKeyXVCMNLORWWEFQN-UHFFFAOYSA-N
MW570.58 g/mol
LogP1.44
Rot. Bonds7

About [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

[1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922331) has the molecular formula C26H29F3N10O2 and a molecular weight of 570.58 g/mol. Its IUPAC name is [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID155922331
Molecular FormulaC26H29F3N10O2
Molecular Weight570.58 g/mol
Exact Mass570.24
IUPAC Name[1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cnn(CCCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1
InChIInChI=1S/C26H29F3N10O2/c27-26(28,29)19-2-3-22-31-13-20(39(22)15-19)24-30-5-4-23(35-24)36-7-8-38(21(16-36)17-10-32-33-11-17)25(41)18-12-34-37(14-18)6-1-9-40/h2-5,12-15,17,21,32-33,40H,1,6-11,16H2
InChIKeyXVCMNLORWWEFQN-UHFFFAOYSA-N
XLogP1.44
TPSA128.74 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.58
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922331) is [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1cnn(CCCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1CNNC1.
What is the InChIKey of [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is XVCMNLORWWEFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N10O2/c27-26(28,29)19-2-3-22-31-13-20(39(22)15-19)24-30-5-4-23(35-24)36-7-8-38(21(16-36)17-10-32-33-11-17)25(41)18-12-34-37(14-18)6-1-9-40/h2-5,12-15,17,21,32-33,40H,1,6-11,16H2.
What are the key properties of [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?
[1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 570.58 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxypropyl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 155922331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).