7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine

C19H25ClFN5O — CID 156645658

IUPAC7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(OCC23CCCN2CCC3)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C19H25ClFN5O/c1-3-25(4-2)17-13-11-22-16(20)14(21)15(13)23-18(24-17)27-12-19-7-5-9-26(19)10-6-8-19/h11H,3-10,12H2,1-2H3
InChIKeyFPVIUARBVOYTSS-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.67
Rot. Bonds6

About 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine

7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 156645658) has the molecular formula C19H25ClFN5O and a molecular weight of 393.89 g/mol. Its IUPAC name is 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID156645658
Molecular FormulaC19H25ClFN5O
Molecular Weight393.89 g/mol
Exact Mass393.17
IUPAC Name7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(OCC23CCCN2CCC3)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C19H25ClFN5O/c1-3-25(4-2)17-13-11-22-16(20)14(21)15(13)23-18(24-17)27-12-19-7-5-9-26(19)10-6-8-19/h11H,3-10,12H2,1-2H3
InChIKeyFPVIUARBVOYTSS-UHFFFAOYSA-N
XLogP3.67
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

US11453683, Example 310
CID 156124727
tert-Butyl (1R,5S)-3-(7-chloro-8-fluoro-2-((tetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)pyrido[4,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 156117201
tert-Butyl 3-(7-chloro-8-fluoro-2-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)pyrido[4,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 156117335
US20250019387, Example 36
CID 168260524
US20250019387, Example 28
CID 168260675
US20250019387, Table 1a.335
CID 168261181
US20250019387, Example 35
CID 168261672
US20250019387, Table 1a.114
CID 168261809
US20250019387, Table 1a.96
CID 175664062
US20250019387, Table 1a.395
CID 175664140
2-[(2S)-4-[7-[(1Z)-1-(2-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-methyliminoethyl]-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-methylpiperazin-2-yl]acetonitrile
CID 154644389
Tert-butyl 2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 154990507

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine (CID 156645658) is 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine is CCN(CC)c1nc(OCC23CCCN2CCC3)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FPVIUARBVOYTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN5O/c1-3-25(4-2)17-13-11-22-16(20)14(21)15(13)23-18(24-17)27-12-19-7-5-9-26(19)10-6-8-19/h11H,3-10,12H2,1-2H3.
What are the key properties of 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine?
7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 393.89 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-diethyl-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156645658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).