7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine

C21H18N6 — CID 155151693

IUPAC7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
SMILESNc1n[nH]c2ccc3nc(-c4ccc5[nH]ncc5c4)c4c(c3c12)CCCC4
InChIInChI=1S/C21H18N6/c22-21-19-17(26-27-21)8-7-16-18(19)13-3-1-2-4-14(13)20(24-16)11-5-6-15-12(9-11)10-23-25-15/h5-10H,1-4H2,(H,23,25)(H3,22,26,27)
InChIKeyKVVOPIDTWAUGCD-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.12
Rot. Bonds1

About 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine

7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine (PubChem CID 155151693) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine.

Molecular Properties

Compound Name7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
PubChem CID155151693
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine
SMILESNc1n[nH]c2ccc3nc(-c4ccc5[nH]ncc5c4)c4c(c3c12)CCCC4
InChIInChI=1S/C21H18N6/c22-21-19-17(26-27-21)8-7-16-18(19)13-3-1-2-4-14(13)20(24-16)11-5-6-15-12(9-11)10-23-25-15/h5-10H,1-4H2,(H,23,25)(H3,22,26,27)
InChIKeyKVVOPIDTWAUGCD-UHFFFAOYSA-N
XLogP4.12
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine?
The IUPAC name of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine (CID 155151693) is 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine.
What is the SMILES notation for 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine?
The canonical SMILES for 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine is Nc1n[nH]c2ccc3nc(-c4ccc5[nH]ncc5c4)c4c(c3c12)CCCC4.
What is the InChIKey of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine?
The InChIKey is KVVOPIDTWAUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c22-21-19-17(26-27-21)8-7-16-18(19)13-3-1-2-4-14(13)20(24-16)11-5-6-15-12(9-11)10-23-25-15/h5-10H,1-4H2,(H,23,25)(H3,22,26,27).
What are the key properties of 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine?
7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine has a molecular weight of 354.42 g/mol, XLogP of 4.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine is sourced from PubChem (CID 155151693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).