4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine

C28H32N6O — CID 166649357

IUPAC4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine
SMILESC[C@@H]1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2nc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C28H32N6O/c1-19-17-29-14-16-34(19)27-24-12-13-25(23-11-5-8-20-7-3-4-10-22(20)23)30-26(24)31-28(32-27)35-18-21-9-6-15-33(21)2/h3-5,7-8,10-13,19,21,29H,6,9,14-18H2,1-2H3/t19-,21+/m1/s1
InChIKeyHPYOQZPBWZXLBL-CTNGQTDRSA-N
MW468.61 g/mol
LogP4.12
Rot. Bonds5

About 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine

4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine (PubChem CID 166649357) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine
PubChem CID166649357
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine
SMILESC[C@@H]1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2nc(-c3cccc4ccccc34)ccc12
InChIInChI=1S/C28H32N6O/c1-19-17-29-14-16-34(19)27-24-12-13-25(23-11-5-8-20-7-3-4-10-22(20)23)30-26(24)31-28(32-27)35-18-21-9-6-15-33(21)2/h3-5,7-8,10-13,19,21,29H,6,9,14-18H2,1-2H3/t19-,21+/m1/s1
InChIKeyHPYOQZPBWZXLBL-CTNGQTDRSA-N
XLogP4.12
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine (CID 166649357) is 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine is C[C@@H]1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2nc(-c3cccc4ccccc34)ccc12.
What is the InChIKey of 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
The InChIKey is HPYOQZPBWZXLBL-CTNGQTDRSA-N. The full InChI is InChI=1S/C28H32N6O/c1-19-17-29-14-16-34(19)27-24-12-13-25(23-11-5-8-20-7-3-4-10-22(20)23)30-26(24)31-28(32-27)35-18-21-9-6-15-33(21)2/h3-5,7-8,10-13,19,21,29H,6,9,14-18H2,1-2H3/t19-,21+/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine?
4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine has a molecular weight of 468.61 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 166649357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).