5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

C24H25N7O2 — CID 166484994

IUPAC5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(C(C)(C)O)cc4)nc3C3CC3)cncc21
InChIInChI=1S/C24H25N7O2/c1-24(2,33)14-6-8-15(9-7-14)28-23-21(22(25)32)29-20(18(30-23)13-4-5-13)16-10-26-11-17-19(16)27-12-31(17)3/h6-13,33H,4-5H2,1-3H3,(H2,25,32)(H,28,30)
InChIKeySRTJPDZXTXFJPF-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.37
Rot. Bonds6

About 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide

5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 166484994) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID166484994
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(C(C)(C)O)cc4)nc3C3CC3)cncc21
InChIInChI=1S/C24H25N7O2/c1-24(2,33)14-6-8-15(9-7-14)28-23-21(22(25)32)29-20(18(30-23)13-4-5-13)16-10-26-11-17-19(16)27-12-31(17)3/h6-13,33H,4-5H2,1-3H3,(H2,25,32)(H,28,30)
InChIKeySRTJPDZXTXFJPF-UHFFFAOYSA-N
XLogP3.37
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide (CID 166484994) is 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is Cn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(C(C)(C)O)cc4)nc3C3CC3)cncc21.
What is the InChIKey of 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is SRTJPDZXTXFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-24(2,33)14-6-8-15(9-7-14)28-23-21(22(25)32)29-20(18(30-23)13-4-5-13)16-10-26-11-17-19(16)27-12-31(17)3/h6-13,33H,4-5H2,1-3H3,(H2,25,32)(H,28,30).
What are the key properties of 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide?
5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).