3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine

C19H20Cl2N6 — CID 170795245

IUPAC3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
SMILESClc1ccc2c(C3CNNC3)c3n(c2c1Cl)CC(Nc1ncccn1)CC3
InChIInChI=1S/C19H20Cl2N6/c20-14-4-3-13-16(11-8-24-25-9-11)15-5-2-12(10-27(15)18(13)17(14)21)26-19-22-6-1-7-23-19/h1,3-4,6-7,11-12,24-25H,2,5,8-10H2,(H,22,23,26)
InChIKeyWWWIZRWENIKTAG-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.36
Rot. Bonds3

About 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine

3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine (PubChem CID 170795245) has the molecular formula C19H20Cl2N6 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine.

Molecular Properties

Compound Name3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
PubChem CID170795245
Molecular FormulaC19H20Cl2N6
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
SMILESClc1ccc2c(C3CNNC3)c3n(c2c1Cl)CC(Nc1ncccn1)CC3
InChIInChI=1S/C19H20Cl2N6/c20-14-4-3-13-16(11-8-24-25-9-11)15-5-2-12(10-27(15)18(13)17(14)21)26-19-22-6-1-7-23-19/h1,3-4,6-7,11-12,24-25H,2,5,8-10H2,(H,22,23,26)
InChIKeyWWWIZRWENIKTAG-UHFFFAOYSA-N
XLogP3.36
TPSA66.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 155557337
(R)-5-chloro-4-(1H-indol-3-yl)-N-(piperidin-3-yl)pyrimidin-2-amine
CID 134543905
7-chloro-N-[2-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)ethyl]quinolin-4-amine
CID 137647088
2-N-[2-(2,3-dichloroanilino)ethyl]-4-N-[2-(1H-indol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 168268929
6-chloro-1-pyrimidin-5-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168284943
4-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2-N-[2-(1H-indol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 168289915
US10071984, Example 48
CID 118956754
5-chloro-4-(1H-indol-3-yl)-N-[(3S,5R)-5-methylpiperidin-3-yl]pyrimidin-2-amine
CID 153324776
5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162643794
5-chloro-4-(2-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162664898
5-chloro-4-(1H-indol-3-yl)-N-[(3S,5S)-5-methylpiperidin-3-yl]pyrimidin-2-amine
CID 162667417
5-chloro-4-(1H-indol-3-yl)-N-[(3R,4S)-4-methylpiperidin-3-yl]pyrimidin-2-amine
CID 162667971

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine?
The IUPAC name of 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine (CID 170795245) is 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine.
What is the SMILES notation for 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine?
The canonical SMILES for 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine is Clc1ccc2c(C3CNNC3)c3n(c2c1Cl)CC(Nc1ncccn1)CC3.
What is the InChIKey of 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine?
The InChIKey is WWWIZRWENIKTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6/c20-14-4-3-13-16(11-8-24-25-9-11)15-5-2-12(10-27(15)18(13)17(14)21)26-19-22-6-1-7-23-19/h1,3-4,6-7,11-12,24-25H,2,5,8-10H2,(H,22,23,26).
What are the key properties of 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine?
3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine has a molecular weight of 403.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-10-pyrazolidin-4-yl-N-pyrimidin-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine is sourced from PubChem (CID 170795245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).