2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol

C20H23N5O2 — CID 121427761

IUPAC2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol
SMILES[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(C)C2NC(C)=C(C)C\12
InChIInChI=1S/C20H23N5O2/c1-11-10-14(17(21)16-12(2)13(3)22-18(11)16)23-19-15-6-4-5-7-25(15)24-20(19)27-9-8-26/h4-7,10,16,18,21-22,26H,8-9H2,1-3H3/b21-17+,23-14+
InChIKeyZRKLQEXIICAXIR-RRZUHXDGSA-N
MW365.44 g/mol
LogP2.64
Rot. Bonds4

About 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol

2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol (PubChem CID 121427761) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol
PubChem CID121427761
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol
SMILES[H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(C)C2NC(C)=C(C)C\12
InChIInChI=1S/C20H23N5O2/c1-11-10-14(17(21)16-12(2)13(3)22-18(11)16)23-19-15-6-4-5-7-25(15)24-20(19)27-9-8-26/h4-7,10,16,18,21-22,26H,8-9H2,1-3H3/b21-17+,23-14+
InChIKeyZRKLQEXIICAXIR-RRZUHXDGSA-N
XLogP2.64
TPSA95.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
The IUPAC name of 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol (CID 121427761) is 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol.
What is the SMILES notation for 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
The canonical SMILES for 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol is [H]/N=C1C(=N\c2c(OCCO)nn3ccccc23)\C=C(C)C2NC(C)=C(C)C\12.
What is the InChIKey of 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
The InChIKey is ZRKLQEXIICAXIR-RRZUHXDGSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-11-10-14(17(21)16-12(2)13(3)22-18(11)16)23-19-15-6-4-5-7-25(15)24-20(19)27-9-8-26/h4-7,10,16,18,21-22,26H,8-9H2,1-3H3/b21-17+,23-14+.
What are the key properties of 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol?
2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol has a molecular weight of 365.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-imino-2,3,7-trimethyl-3a,7a-dihydro-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol is sourced from PubChem (CID 121427761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).