6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

C20H18ClF2N7 — CID 139344301

IUPAC6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESCc1[nH]ncc1C1CC(F)CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C20H18ClF2N7/c1-11-14(6-26-28-11)12-4-13(22)9-29(8-12)18-2-3-24-20(27-18)17-7-25-19-5-16(23)15(21)10-30(17)19/h2-3,5-7,10,12-13H,4,8-9H2,1H3,(H,26,28)
InChIKeyBAZZBGMSEVPNSI-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.95
Rot. Bonds3

About 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 139344301) has the molecular formula C20H18ClF2N7 and a molecular weight of 429.86 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID139344301
Molecular FormulaC20H18ClF2N7
Molecular Weight429.86 g/mol
Exact Mass429.13
IUPAC Name6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESCc1[nH]ncc1C1CC(F)CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1
InChIInChI=1S/C20H18ClF2N7/c1-11-14(6-26-28-11)12-4-13(22)9-29(8-12)18-2-3-24-20(27-18)17-7-25-19-5-16(23)15(21)10-30(17)19/h2-3,5-7,10,12-13H,4,8-9H2,1H3,(H,26,28)
InChIKeyBAZZBGMSEVPNSI-UHFFFAOYSA-N
XLogP3.95
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 139344301) is 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is Cc1[nH]ncc1C1CC(F)CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C1.
What is the InChIKey of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is BAZZBGMSEVPNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N7/c1-11-14(6-26-28-11)12-4-13(22)9-29(8-12)18-2-3-24-20(27-18)17-7-25-19-5-16(23)15(21)10-30(17)19/h2-3,5-7,10,12-13H,4,8-9H2,1H3,(H,26,28).
What are the key properties of 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?
6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 429.86 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).