N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide

C19H30N8O — CID 131670075

IUPACN-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide
SMILESCN1Cc2nnc(C(=O)NC(C)(C)C)n2CC12CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C19H30N8O/c1-18(2,3)21-17(28)16-23-22-15-11-24(4)19(13-27(15)16)6-7-26(12-19)10-14-8-20-25(5)9-14/h8-9H,6-7,10-13H2,1-5H3,(H,21,28)
InChIKeyMBRIRUCAJBDPKU-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.63
Rot. Bonds3

About N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide

N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide (PubChem CID 131670075) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide
PubChem CID131670075
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC NameN-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide
SMILESCN1Cc2nnc(C(=O)NC(C)(C)C)n2CC12CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C19H30N8O/c1-18(2,3)21-17(28)16-23-22-15-11-24(4)19(13-27(15)16)6-7-26(12-19)10-14-8-20-25(5)9-14/h8-9H,6-7,10-13H2,1-5H3,(H,21,28)
InChIKeyMBRIRUCAJBDPKU-UHFFFAOYSA-N
XLogP0.63
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-1'-(furan-2-ylmethyl)-7-methylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171694066
N-tert-butyl-7-methyl-1'-(1,3-thiazol-2-ylmethyl)spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155861079
N-benzyl-1'-[(3-fluorophenyl)methyl]-7-methylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171692881
5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,5,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-9,11-diene-12-carboxamide
CID 131670386
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 97370808
4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130920691
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
2-[(4-fluorophenyl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155842471
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71932890
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide (CID 131670075) is N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide is CN1Cc2nnc(C(=O)NC(C)(C)C)n2CC12CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide?
The InChIKey is MBRIRUCAJBDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-18(2,3)21-17(28)16-23-22-15-11-24(4)19(13-27(15)16)6-7-26(12-19)10-14-8-20-25(5)9-14/h8-9H,6-7,10-13H2,1-5H3,(H,21,28).
What are the key properties of N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide?
N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide is sourced from PubChem (CID 131670075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).