N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C22H23N5O — CID 70714381

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCC4OCCc5ccccc54)n2)CCNC3)nc1
InChIInChI=1S/C22H23N5O/c1-2-6-16-15(5-1)9-12-28-20(16)14-25-21-17-8-11-23-13-19(17)26-22(27-21)18-7-3-4-10-24-18/h1-7,10,20,23H,8-9,11-14H2,(H,25,26,27)
InChIKeyLJIFMUWZOGZZNC-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.91
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 70714381) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID70714381
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc3c(c(NCC4OCCc5ccccc54)n2)CCNC3)nc1
InChIInChI=1S/C22H23N5O/c1-2-6-16-15(5-1)9-12-28-20(16)14-25-21-17-8-11-23-13-19(17)26-22(27-21)18-7-3-4-10-24-18/h1-7,10,20,23H,8-9,11-14H2,(H,25,26,27)
InChIKeyLJIFMUWZOGZZNC-UHFFFAOYSA-N
XLogP2.91
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 70714381) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1ccc(-c2nc3c(c(NCC4OCCc5ccccc54)n2)CCNC3)nc1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LJIFMUWZOGZZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-2-6-16-15(5-1)9-12-28-20(16)14-25-21-17-8-11-23-13-19(17)26-22(27-21)18-7-3-4-10-24-18/h1-7,10,20,23H,8-9,11-14H2,(H,25,26,27).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70714381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).