6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid

C27H22N6O4 — CID 146374765

IUPAC6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid
SMILESCOC(=O)c1cc(-c2ccc(C3CC3)nc2)nc(C2CC2c2ccc(-c3cc(C(=O)O)ncn3)cn2)n1
InChIInChI=1S/C27H22N6O4/c1-37-27(36)24-10-22(16-4-6-19(28-12-16)14-2-3-14)32-25(33-24)18-8-17(18)20-7-5-15(11-29-20)21-9-23(26(34)35)31-13-30-21/h4-7,9-14,17-18H,2-3,8H2,1H3,(H,34,35)
InChIKeyNBJCYQGWLJEBRZ-UHFFFAOYSA-N
MW494.51 g/mol
LogP4.02
Rot. Bonds7

About 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid

6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid (PubChem CID 146374765) has the molecular formula C27H22N6O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid
PubChem CID146374765
Molecular FormulaC27H22N6O4
Molecular Weight494.51 g/mol
Exact Mass494.17
IUPAC Name6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid
SMILESCOC(=O)c1cc(-c2ccc(C3CC3)nc2)nc(C2CC2c2ccc(-c3cc(C(=O)O)ncn3)cn2)n1
InChIInChI=1S/C27H22N6O4/c1-37-27(36)24-10-22(16-4-6-19(28-12-16)14-2-3-14)32-25(33-24)18-8-17(18)20-7-5-15(11-29-20)21-9-23(26(34)35)31-13-30-21/h4-7,9-14,17-18H,2-3,8H2,1H3,(H,34,35)
InChIKeyNBJCYQGWLJEBRZ-UHFFFAOYSA-N
XLogP4.02
TPSA140.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid with MolForge

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Related Compounds

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CID 67218574
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CID 68261317
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CID 68261349
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CID 89782557
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CID 138634185
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Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid (CID 146374765) is 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid is COC(=O)c1cc(-c2ccc(C3CC3)nc2)nc(C2CC2c2ccc(-c3cc(C(=O)O)ncn3)cn2)n1.
What is the InChIKey of 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid?
The InChIKey is NBJCYQGWLJEBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O4/c1-37-27(36)24-10-22(16-4-6-19(28-12-16)14-2-3-14)32-25(33-24)18-8-17(18)20-7-5-15(11-29-20)21-9-23(26(34)35)31-13-30-21/h4-7,9-14,17-18H,2-3,8H2,1H3,(H,34,35).
What are the key properties of 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid?
6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid has a molecular weight of 494.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-[4-(6-cyclopropyl-3-pyridinyl)-6-methoxycarbonylpyrimidin-2-yl]cyclopropyl]-3-pyridinyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 146374765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).