1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

C26H24F2N10O — CID 155573023

IUPAC1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cnn(C(F)F)c6)cn45)n3)nc2)CC1
InChIInChI=1S/C26H24F2N10O/c1-17(39)35-8-10-36(11-9-35)20-3-4-23(30-13-20)34-26-29-7-6-21(33-26)22-14-31-24-5-2-18(15-37(22)24)19-12-32-38(16-19)25(27)28/h2-7,12-16,25H,8-11H2,1H3,(H,29,30,33,34)
InChIKeyAPOZZRRFFVFCQT-UHFFFAOYSA-N
MW530.54 g/mol
LogP3.86
Rot. Bonds6

About 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 155573023) has the molecular formula C26H24F2N10O and a molecular weight of 530.54 g/mol. Its IUPAC name is 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID155573023
Molecular FormulaC26H24F2N10O
Molecular Weight530.54 g/mol
Exact Mass530.21
IUPAC Name1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cnn(C(F)F)c6)cn45)n3)nc2)CC1
InChIInChI=1S/C26H24F2N10O/c1-17(39)35-8-10-36(11-9-35)20-3-4-23(30-13-20)34-26-29-7-6-21(33-26)22-14-31-24-5-2-18(15-37(22)24)19-12-32-38(16-19)25(27)28/h2-7,12-16,25H,8-11H2,1H3,(H,29,30,33,34)
InChIKeyAPOZZRRFFVFCQT-UHFFFAOYSA-N
XLogP3.86
TPSA109.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (CID 155573023) is 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(-c6cnn(C(F)F)c6)cn45)n3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is APOZZRRFFVFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N10O/c1-17(39)35-8-10-36(11-9-35)20-3-4-23(30-13-20)34-26-29-7-6-21(33-26)22-14-31-24-5-2-18(15-37(22)24)19-12-32-38(16-19)25(27)28/h2-7,12-16,25H,8-11H2,1H3,(H,29,30,33,34).
What are the key properties of 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 530.54 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[4-[6-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155573023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).