6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide

C26H27N7O2 — CID 151387051

IUPAC6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc(-c4ccn(C)n4)c3)cn2)cn1
InChIInChI=1S/C26H27N7O2/c1-32-6-5-22(31-32)23-8-18(7-17-3-4-21(27-12-17)19-13-28-33(2)14-19)9-24(30-23)25(34)29-20-10-26(11-20)15-35-16-26/h3-6,8-9,12-14,20H,7,10-11,15-16H2,1-2H3,(H,29,34)
InChIKeyOTQHAWVAZRKNGX-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.78
Rot. Bonds6

About 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide

6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide (PubChem CID 151387051) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide
PubChem CID151387051
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc(-c4ccn(C)n4)c3)cn2)cn1
InChIInChI=1S/C26H27N7O2/c1-32-6-5-22(31-32)23-8-18(7-17-3-4-21(27-12-17)19-13-28-33(2)14-19)9-24(30-23)25(34)29-20-10-26(11-20)15-35-16-26/h3-6,8-9,12-14,20H,7,10-11,15-16H2,1-2H3,(H,29,34)
InChIKeyOTQHAWVAZRKNGX-UHFFFAOYSA-N
XLogP2.78
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)quinoline-8-carboxamide
CID 146503240
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 147196532
N-[(3R,4S)-3-hydroxyoxan-4-yl]-7-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 142503659
1-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150375428
N-cyclohexyl-1-methyl-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 142297464
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
N-[(1S,2S)-2-hydroxycyclobutyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 148695470
N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 152524681
N-cyclohexyl-1-methyl-4-[[6-(6-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 134312545
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147405286
N-[(1S,2S)-2-hydroxycyclopentyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 153160749
N-cyclohexyl-8-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 134312591

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide (CID 151387051) is 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc(-c4ccn(C)n4)c3)cn2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide?
The InChIKey is OTQHAWVAZRKNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-32-6-5-22(31-32)23-8-18(7-17-3-4-21(27-12-17)19-13-28-33(2)14-19)9-24(30-23)25(34)29-20-10-26(11-20)15-35-16-26/h3-6,8-9,12-14,20H,7,10-11,15-16H2,1-2H3,(H,29,34).
What are the key properties of 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide?
6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-N-(2-oxaspiro[3.3]heptan-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 151387051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).