3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide

C19H21F2N7O — CID 139357757

IUPAC3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C19H21F2N7O/c20-18(21)13-11-28-14(8-25-17(28)9-24-13)19-23-6-5-16(26-19)27-7-1-2-12(10-27)3-4-15(22)29/h5-6,8-9,11-12,18H,1-4,7,10H2,(H2,22,29)
InChIKeySKEMBEAWAYRLNR-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.61
Rot. Bonds6

About 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide

3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 139357757) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide
PubChem CID139357757
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC Name3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C19H21F2N7O/c20-18(21)13-11-28-14(8-25-17(28)9-24-13)19-23-6-5-16(26-19)27-7-1-2-12(10-27)3-4-15(22)29/h5-6,8-9,11-12,18H,1-4,7,10H2,(H2,22,29)
InChIKeySKEMBEAWAYRLNR-UHFFFAOYSA-N
XLogP2.61
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide (CID 139357757) is 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is SKEMBEAWAYRLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O/c20-18(21)13-11-28-14(8-25-17(28)9-24-13)19-23-6-5-16(26-19)27-7-1-2-12(10-27)3-4-15(22)29/h5-6,8-9,11-12,18H,1-4,7,10H2,(H2,22,29).
What are the key properties of 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide?
3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 401.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 139357757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).