4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline

C22H25N7O — CID 123668060

IUPAC4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline
SMILES[H]/N=C(\c1ccnc(N2CCC(n3cncn3)CC2)c1)c1cc(OC2CC2)ccc1N
InChIInChI=1S/C22H25N7O/c23-20-4-3-18(30-17-1-2-17)12-19(20)22(24)15-5-8-26-21(11-15)28-9-6-16(7-10-28)29-14-25-13-27-29/h3-5,8,11-14,16-17,24H,1-2,6-7,9-10,23H2/b24-22+
InChIKeyXIKFFEWOKHYAQI-ZNTNEXAZSA-N
MW403.49 g/mol
LogP3.05
Rot. Bonds6

About 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline

4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline (PubChem CID 123668060) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline.

Molecular Properties

Compound Name4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline
PubChem CID123668060
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline
SMILES[H]/N=C(\c1ccnc(N2CCC(n3cncn3)CC2)c1)c1cc(OC2CC2)ccc1N
InChIInChI=1S/C22H25N7O/c23-20-4-3-18(30-17-1-2-17)12-19(20)22(24)15-5-8-26-21(11-15)28-9-6-16(7-10-28)29-14-25-13-27-29/h3-5,8,11-14,16-17,24H,1-2,6-7,9-10,23H2/b24-22+
InChIKeyXIKFFEWOKHYAQI-ZNTNEXAZSA-N
XLogP3.05
TPSA105.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
N-[4-[3-(Dimethylamino)propoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347180
(16E)-14-(cyclopropylmethyl)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739706
(16E)-14-cyclopropyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739777
8-Methoxy-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine
CID 21064040
6-(3-fluoropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160287
N-(1-methyl-1H-pyrazol-3-yl)-6-(pyridin-2-yloxy)quinazolin-4-amine
CID 45483594
3-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593684
4-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 78322146
3-(2-(4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
CID 90400705

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline?
The IUPAC name of 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline (CID 123668060) is 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline.
What is the SMILES notation for 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline?
The canonical SMILES for 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline is [H]/N=C(\c1ccnc(N2CCC(n3cncn3)CC2)c1)c1cc(OC2CC2)ccc1N.
What is the InChIKey of 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline?
The InChIKey is XIKFFEWOKHYAQI-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H25N7O/c23-20-4-3-18(30-17-1-2-17)12-19(20)22(24)15-5-8-26-21(11-15)28-9-6-16(7-10-28)29-14-25-13-27-29/h3-5,8,11-14,16-17,24H,1-2,6-7,9-10,23H2/b24-22+.
What are the key properties of 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline?
4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline has a molecular weight of 403.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-2-[2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridine-4-carboximidoyl]aniline is sourced from PubChem (CID 123668060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).