7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C22H27N7 — CID 154440671

IUPAC7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/C(C)(C)C)cc3n2)c1
InChIInChI=1S/C22H27N7/c1-14(2)15-9-21(29-26-13-15)28-20-7-6-18-19(27-20)8-16(11-24-18)17(10-23)12-25-22(3,4)5/h6-14H,23H2,1-5H3,(H,27,28,29)/b17-10?,25-12+
InChIKeyNWHAAYWVMGUCQQ-LCPVPBOPSA-N
MW389.51 g/mol
LogP4.46
Rot. Bonds5

About 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 154440671) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID154440671
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/C(C)(C)C)cc3n2)c1
InChIInChI=1S/C22H27N7/c1-14(2)15-9-21(29-26-13-15)28-20-7-6-18-19(27-20)8-16(11-24-18)17(10-23)12-25-22(3,4)5/h6-14H,23H2,1-5H3,(H,27,28,29)/b17-10?,25-12+
InChIKeyNWHAAYWVMGUCQQ-LCPVPBOPSA-N
XLogP4.46
TPSA101.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CID 46742353
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
N-phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419386
1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine
CID 6419387
N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419388
N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419394
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
4-(isoquinolin-5-yl)-N-m-tolylphthalazin-1-amine
CID 44409436
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698

Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 154440671) is 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/C(C)(C)C)cc3n2)c1.
What is the InChIKey of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is NWHAAYWVMGUCQQ-LCPVPBOPSA-N. The full InChI is InChI=1S/C22H27N7/c1-14(2)15-9-21(29-26-13-15)28-20-7-6-18-19(27-20)8-16(11-24-18)17(10-23)12-25-22(3,4)5/h6-14H,23H2,1-5H3,(H,27,28,29)/b17-10?,25-12+.
What are the key properties of 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 389.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-3-tert-butyliminoprop-1-en-2-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 154440671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).