N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide

C26H28FN9O2 — CID 78320990

IUPACN-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1
InChIInChI=1S/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/m0/s1
InChIKeyLFUDBIVGMVUHOL-FQEVSTJZSA-N
MW517.57 g/mol
LogP2.39
Rot. Bonds7

About N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide

N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 78320990) has the molecular formula C26H28FN9O2 and a molecular weight of 517.57 g/mol. Its IUPAC name is N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide
PubChem CID78320990
Molecular FormulaC26H28FN9O2
Molecular Weight517.57 g/mol
Exact Mass517.23
IUPAC NameN-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1
InChIInChI=1S/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/m0/s1
InChIKeyLFUDBIVGMVUHOL-FQEVSTJZSA-N
XLogP2.39
TPSA123.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide (CID 78320990) is N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide is CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1.
What is the InChIKey of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is LFUDBIVGMVUHOL-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/m0/s1.
What are the key properties of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide?
N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 517.57 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 78320990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).