N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C19H21N5 — CID 134197885

IUPACN-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=N/C(=C\c1cc(Nc2n[nH]c3cccnc23)ccc1C)C(C)C
InChIInChI=1S/C19H21N5/c1-12(2)17(20-4)11-14-10-15(8-7-13(14)3)22-19-18-16(23-24-19)6-5-9-21-18/h5-12H,4H2,1-3H3,(H2,22,23,24)/b17-11-
InChIKeySOCYZOFCTNNZSM-BOPFTXTBSA-N
MW319.41 g/mol
LogP4.71
Rot. Bonds5

About N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134197885) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134197885
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC=N/C(=C\c1cc(Nc2n[nH]c3cccnc23)ccc1C)C(C)C
InChIInChI=1S/C19H21N5/c1-12(2)17(20-4)11-14-10-15(8-7-13(14)3)22-19-18-16(23-24-19)6-5-9-21-18/h5-12H,4H2,1-3H3,(H2,22,23,24)/b17-11-
InChIKeySOCYZOFCTNNZSM-BOPFTXTBSA-N
XLogP4.71
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134197885) is N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is C=N/C(=C\c1cc(Nc2n[nH]c3cccnc23)ccc1C)C(C)C.
What is the InChIKey of N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is SOCYZOFCTNNZSM-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H21N5/c1-12(2)17(20-4)11-14-10-15(8-7-13(14)3)22-19-18-16(23-24-19)6-5-9-21-18/h5-12H,4H2,1-3H3,(H2,22,23,24)/b17-11-.
What are the key properties of N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 319.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134197885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).