N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide

C18H24N6O — CID 131662142

IUPACN-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
SMILESCn1cc(CN2CCC3(CCC3NC(=O)c3cnccn3)CC2)cn1
InChIInChI=1S/C18H24N6O/c1-23-12-14(10-21-23)13-24-8-4-18(5-9-24)3-2-16(18)22-17(25)15-11-19-6-7-20-15/h6-7,10-12,16H,2-5,8-9,13H2,1H3,(H,22,25)
InChIKeyBKNDTMHKOFWOHD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.38
Rot. Bonds4

About N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide

N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide (PubChem CID 131662142) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
PubChem CID131662142
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
SMILESCn1cc(CN2CCC3(CCC3NC(=O)c3cnccn3)CC2)cn1
InChIInChI=1S/C18H24N6O/c1-23-12-14(10-21-23)13-24-8-4-18(5-9-24)3-2-16(18)22-17(25)15-11-19-6-7-20-15/h6-7,10-12,16H,2-5,8-9,13H2,1H3,(H,22,25)
InChIKeyBKNDTMHKOFWOHD-UHFFFAOYSA-N
XLogP1.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-7-(cyclopropylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 97374790
N-[(3R)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 97374758
N-[(4S,5R)-5-hydroxy-4-methyl-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 169415115
[8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97449478
N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374880
2-methyl-N-[9-[(1-methylpyrazol-4-yl)methyl]-3-oxa-9-azaspiro[5.5]undecan-5-yl]propanamide
CID 131646801
1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374960
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-[6-[(2-methylpyrazol-3-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazine-2-carboxamide
CID 98894337
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356

Frequently Asked Questions

What is the IUPAC name of N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide (CID 131662142) is N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide is Cn1cc(CN2CCC3(CCC3NC(=O)c3cnccn3)CC2)cn1.
What is the InChIKey of N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?
The InChIKey is BKNDTMHKOFWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23-12-14(10-21-23)13-24-8-4-18(5-9-24)3-2-16(18)22-17(25)15-11-19-6-7-20-15/h6-7,10-12,16H,2-5,8-9,13H2,1H3,(H,22,25).
What are the key properties of N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide?
N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 131662142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).