N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine

C25H23N5O — CID 146025708

IUPACN-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
SMILESCc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C25H23N5O/c1-16-13-19(5-6-20(16)24-17(2)28-14-23-26-10-11-29(23)24)30(15-18-3-4-18)25-21-8-12-31-22(21)7-9-27-25/h5-14,18H,3-4,15H2,1-2H3
InChIKeyATQJKKRXGWCEQJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.70
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine

N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine (PubChem CID 146025708) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
PubChem CID146025708
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
SMILESCc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C25H23N5O/c1-16-13-19(5-6-20(16)24-17(2)28-14-23-26-10-11-29(23)24)30(15-18-3-4-18)25-21-8-12-31-22(21)7-9-27-25/h5-14,18H,3-4,15H2,1-2H3
InChIKeyATQJKKRXGWCEQJ-UHFFFAOYSA-N
XLogP5.70
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine (CID 146025708) is N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine is Cc1cc(N(CC2CC2)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine?
The InChIKey is ATQJKKRXGWCEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-16-13-19(5-6-20(16)24-17(2)28-14-23-26-10-11-29(23)24)30(15-18-3-4-18)25-21-8-12-31-22(21)7-9-27-25/h5-14,18H,3-4,15H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine?
N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine has a molecular weight of 409.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 146025708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).