5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide

C22H30N8OS — CID 143563216

IUPAC5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide
SMILESCCC1CN(/C=N\N)c2cnc(Nc3ccc(C(=O)NC4CC4)s3)nc2N1C1CCCC1
InChIInChI=1S/C22H30N8OS/c1-2-15-12-29(13-25-23)17-11-24-22(28-20(17)30(15)16-5-3-4-6-16)27-19-10-9-18(32-19)21(31)26-14-7-8-14/h9-11,13-16H,2-8,12,23H2,1H3,(H,26,31)(H,24,27,28)/b25-13-
InChIKeyNWBCBRDQIAUYRC-MXAYSNPKSA-N
MW454.60 g/mol
LogP3.42
Rot. Bonds7

About 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide

5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 143563216) has the molecular formula C22H30N8OS and a molecular weight of 454.60 g/mol. Its IUPAC name is 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide
PubChem CID143563216
Molecular FormulaC22H30N8OS
Molecular Weight454.60 g/mol
Exact Mass454.23
IUPAC Name5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide
SMILESCCC1CN(/C=N\N)c2cnc(Nc3ccc(C(=O)NC4CC4)s3)nc2N1C1CCCC1
InChIInChI=1S/C22H30N8OS/c1-2-15-12-29(13-25-23)17-11-24-22(28-20(17)30(15)16-5-3-4-6-16)27-19-10-9-18(32-19)21(31)26-14-7-8-14/h9-11,13-16H,2-8,12,23H2,1H3,(H,26,31)(H,24,27,28)/b25-13-
InChIKeyNWBCBRDQIAUYRC-MXAYSNPKSA-N
XLogP3.42
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(7R)-8-cyclopentyl-5,7-diethyl-6,7-dihydropteridin-2-yl]amino]-3-methoxybenzoic acid
CID 58009762
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299
8-cyclopentyl-7-ethyl-N-[3-fluoro-4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-5-methyl-6,7-dihydropteridin-2-amine
CID 74334574
4-[(8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridin-2-yl)amino]-3-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 171081775
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-fluoro-N-(1-methylpiperidin-4-yl)benzamide
CID 122187524
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxybenzamide
CID 59139944
(2R)-2-amino-4-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoyl]amino]piperidin-1-yl]butanoic acid
CID 66670410
(2S)-2-amino-2-[2-[4-[[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methylbenzoyl]amino]piperidin-1-yl]ethyl]-3,3-dimethylbutanoic acid
CID 66670450
7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-4-carboxamide
CID 51038045
lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide
CID 155697934
N-cyclopropyl-5-formylthiophene-2-carboxamide
CID 118380717

Frequently Asked Questions

What is the IUPAC name of 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide (CID 143563216) is 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide is CCC1CN(/C=N\N)c2cnc(Nc3ccc(C(=O)NC4CC4)s3)nc2N1C1CCCC1.
What is the InChIKey of 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is NWBCBRDQIAUYRC-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H30N8OS/c1-2-15-12-29(13-25-23)17-11-24-22(28-20(17)30(15)16-5-3-4-6-16)27-19-10-9-18(32-19)21(31)26-14-7-8-14/h9-11,13-16H,2-8,12,23H2,1H3,(H,26,31)(H,24,27,28)/b25-13-.
What are the key properties of 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide?
5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-cyclopentyl-7-ethyl-5-[(Z)-hydrazinylidenemethyl]-6,7-dihydropteridin-2-yl]amino]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 143563216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).