2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol

C29H31N7O — CID 167629948

IUPAC2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol
SMILESCn1cc(-c2ccc(CCc3cc(-c4cnc5cc(N6CCC(CCO)C6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C29H31N7O/c1-34-19-24(16-33-34)23-5-2-21(3-6-23)4-7-25-14-27(32-20-31-25)28-17-30-29-15-26(9-12-36(28)29)35-11-8-22(18-35)10-13-37/h2-3,5-6,9,12,14-17,19-20,22,37H,4,7-8,10-11,13,18H2,1H3
InChIKeyNQKGOEDNOZPPCW-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.19
Rot. Bonds8

About 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol

2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol (PubChem CID 167629948) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol
PubChem CID167629948
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol
SMILESCn1cc(-c2ccc(CCc3cc(-c4cnc5cc(N6CCC(CCO)C6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C29H31N7O/c1-34-19-24(16-33-34)23-5-2-21(3-6-23)4-7-25-14-27(32-20-31-25)28-17-30-29-15-26(9-12-36(28)29)35-11-8-22(18-35)10-13-37/h2-3,5-6,9,12,14-17,19-20,22,37H,4,7-8,10-11,13,18H2,1H3
InChIKeyNQKGOEDNOZPPCW-UHFFFAOYSA-N
XLogP4.19
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol (CID 167629948) is 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol is Cn1cc(-c2ccc(CCc3cc(-c4cnc5cc(N6CCC(CCO)C6)ccn45)ncn3)cc2)cn1.
What is the InChIKey of 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is NQKGOEDNOZPPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-34-19-24(16-33-34)23-5-2-21(3-6-23)4-7-25-14-27(32-20-31-25)28-17-30-29-15-26(9-12-36(28)29)35-11-8-22(18-35)10-13-37/h2-3,5-6,9,12,14-17,19-20,22,37H,4,7-8,10-11,13,18H2,1H3.
What are the key properties of 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol?
2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 493.62 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 167629948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).