N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C19H15ClN6 — CID 6159961

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N/N=C\c2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H15ClN6/c1-13-23-18(25-21-11-14-7-9-15(20)10-8-14)17-12-22-26(19(17)24-13)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,24,25)/b21-11-
InChIKeyBBWLNMFBJPIISY-NHDPSOOVSA-N
MW362.82 g/mol
LogP4.22
Rot. Bonds4

About N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 6159961) has the molecular formula C19H15ClN6 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID6159961
Molecular FormulaC19H15ClN6
Molecular Weight362.82 g/mol
Exact Mass362.10
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N/N=C\c2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C19H15ClN6/c1-13-23-18(25-21-11-14-7-9-15(20)10-8-14)17-12-22-26(19(17)24-13)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,24,25)/b21-11-
InChIKeyBBWLNMFBJPIISY-NHDPSOOVSA-N
XLogP4.22
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136690221
N-[[4-(dimethylamino)phenyl]methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3741959
4-N-(4-chlorophenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17017111
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
1-(4-chloro-3-fluorophenyl)-N,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726222
2,3-dimethoxy-5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 72636247
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 135699371
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78416977
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943
N',N'-dimethyl-N-[5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]ethane-1,2-diamine
CID 72636240
4-chloro-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 5231061
N'-[1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-yl]-N-pyridin-2-ylbutane-1,4-diamine
CID 51134816

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 6159961) is N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N/N=C\c2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BBWLNMFBJPIISY-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H15ClN6/c1-13-23-18(25-21-11-14-7-9-15(20)10-8-14)17-12-22-26(19(17)24-13)16-5-3-2-4-6-16/h2-12H,1H3,(H,23,24,25)/b21-11-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 362.82 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 6159961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).