4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C27H28FN5O3 — CID 164535256

IUPAC4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN1CCC[C@H]1COc1nc(N2CCOCC2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C27H28FN5O3/c1-32-8-4-6-18(32)16-36-27-30-25-22(26(31-27)33-9-11-35-12-10-33)15-29-24(23(25)28)21-14-19(34)13-17-5-2-3-7-20(17)21/h2-3,5,7,13-15,18,34H,4,6,8-12,16H2,1H3/t18-/m0/s1
InChIKeyYDHMHJZUKCQFSN-SFHVURJKSA-N
MW489.55 g/mol
LogP4.00
Rot. Bonds5

About 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 164535256) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID164535256
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCN1CCC[C@H]1COc1nc(N2CCOCC2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C27H28FN5O3/c1-32-8-4-6-18(32)16-36-27-30-25-22(26(31-27)33-9-11-35-12-10-33)15-29-24(23(25)28)21-14-19(34)13-17-5-2-3-7-20(17)21/h2-3,5,7,13-15,18,34H,4,6,8-12,16H2,1H3/t18-/m0/s1
InChIKeyYDHMHJZUKCQFSN-SFHVURJKSA-N
XLogP4.00
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 164535256) is 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is CN1CCC[C@H]1COc1nc(N2CCOCC2)c2cnc(-c3cc(O)cc4ccccc34)c(F)c2n1.
What is the InChIKey of 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is YDHMHJZUKCQFSN-SFHVURJKSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-32-8-4-6-18(32)16-36-27-30-25-22(26(31-27)33-9-11-35-12-10-33)15-29-24(23(25)28)21-14-19(34)13-17-5-2-3-7-20(17)21/h2-3,5,7,13-15,18,34H,4,6,8-12,16H2,1H3/t18-/m0/s1.
What are the key properties of 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 489.55 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-morpholin-4-ylpyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 164535256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).