2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C26H33N5O2 — CID 92630112

IUPAC2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3c[nH]c4cc(OC)ccc34)nc21
InChIInChI=1S/C26H33N5O2/c1-4-12-31-24(32)11-10-20-17(2)28-25(29-26(20)31)23-7-5-6-13-30(23)16-18-15-27-22-14-19(33-3)8-9-21(18)22/h8-9,14-15,23,27H,4-7,10-13,16H2,1-3H3/t23-/m1/s1
InChIKeyDQMZXVPYPGIACT-HSZRJFAPSA-N
MW447.58 g/mol
LogP4.69
Rot. Bonds6

About 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630112) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630112
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3c[nH]c4cc(OC)ccc34)nc21
InChIInChI=1S/C26H33N5O2/c1-4-12-31-24(32)11-10-20-17(2)28-25(29-26(20)31)23-7-5-6-13-30(23)16-18-15-27-22-14-19(33-3)8-9-21(18)22/h8-9,14-15,23,27H,4-7,10-13,16H2,1-3H3/t23-/m1/s1
InChIKeyDQMZXVPYPGIACT-HSZRJFAPSA-N
XLogP4.69
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630112) is 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3c[nH]c4cc(OC)ccc34)nc21.
What is the InChIKey of 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DQMZXVPYPGIACT-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-4-12-31-24(32)11-10-20-17(2)28-25(29-26(20)31)23-7-5-6-13-30(23)16-18-15-27-22-14-19(33-3)8-9-21(18)22/h8-9,14-15,23,27H,4-7,10-13,16H2,1-3H3/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 447.58 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).