2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile

C20H24N5OP — CID 166527528

IUPAC2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile
SMILESCCc1cc2c(C(C)(C)C#N)cc(N3CCOCC3)nc2p1-c1ccn[nH]1
InChIInChI=1S/C20H24N5OP/c1-4-14-11-15-16(20(2,3)13-21)12-17(25-7-9-26-10-8-25)23-19(15)27(14)18-5-6-22-24-18/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyYRHKOFDQNVQLMB-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.13
Rot. Bonds4

About 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile

2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile (PubChem CID 166527528) has the molecular formula C20H24N5OP and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile
PubChem CID166527528
Molecular FormulaC20H24N5OP
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile
SMILESCCc1cc2c(C(C)(C)C#N)cc(N3CCOCC3)nc2p1-c1ccn[nH]1
InChIInChI=1S/C20H24N5OP/c1-4-14-11-15-16(20(2,3)13-21)12-17(25-7-9-26-10-8-25)23-19(15)27(14)18-5-6-22-24-18/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyYRHKOFDQNVQLMB-UHFFFAOYSA-N
XLogP4.13
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(3R)-3-ethylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-2-methylpropanenitrile
CID 166726969
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
1-[amino-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]amino]-2-methylpropan-2-amine
CID 134446743
(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
CID 155585621
1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1-propylhydrazine
CID 134446629
4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
CID 50982860
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
4-[4-propan-2-ylsulfanyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869614
4-[4-(5-chloro-6-ethoxy-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 122585593
2-[3-methanimidoyl-6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]-2-methylpropanenitrile
CID 155585674
4-[4-(2-fluoro-5-methoxyphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869556
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile (CID 166527528) is 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile is CCc1cc2c(C(C)(C)C#N)cc(N3CCOCC3)nc2p1-c1ccn[nH]1.
What is the InChIKey of 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile?
The InChIKey is YRHKOFDQNVQLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N5OP/c1-4-14-11-15-16(20(2,3)13-21)12-17(25-7-9-26-10-8-25)23-19(15)27(14)18-5-6-22-24-18/h5-6,11-12H,4,7-10H2,1-3H3,(H,22,24).
What are the key properties of 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile?
2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile has a molecular weight of 381.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-2-morpholin-4-yl-7-(1H-pyrazol-5-yl)phospholo[2,3-b]pyridin-4-yl]-2-methylpropanenitrile is sourced from PubChem (CID 166527528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).