(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal

C19H17N7O — CID 137384166

IUPAC(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal
SMILESN/C(C=O)=C\C1C=CC(c2nccc(Nc3ccc4[nH]ncc4c3)n2)=CN1
InChIInChI=1S/C19H17N7O/c20-14(11-27)8-15-2-1-12(9-22-15)19-21-6-5-18(25-19)24-16-3-4-17-13(7-16)10-23-26-17/h1-11,15,22H,20H2,(H,23,26)(H,21,24,25)/b14-8-
InChIKeyUMGMFOZZLYGMHF-ZSOIEALJSA-N
MW359.39 g/mol
LogP2.01
Rot. Bonds5

About (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal

(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal (PubChem CID 137384166) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal
PubChem CID137384166
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal
SMILESN/C(C=O)=C\C1C=CC(c2nccc(Nc3ccc4[nH]ncc4c3)n2)=CN1
InChIInChI=1S/C19H17N7O/c20-14(11-27)8-15-2-1-12(9-22-15)19-21-6-5-18(25-19)24-16-3-4-17-13(7-16)10-23-26-17/h1-11,15,22H,20H2,(H,23,26)(H,21,24,25)/b14-8-
InChIKeyUMGMFOZZLYGMHF-ZSOIEALJSA-N
XLogP2.01
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal?
The IUPAC name of (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal (CID 137384166) is (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal.
What is the SMILES notation for (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal?
The canonical SMILES for (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal is N/C(C=O)=C\C1C=CC(c2nccc(Nc3ccc4[nH]ncc4c3)n2)=CN1.
What is the InChIKey of (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal?
The InChIKey is UMGMFOZZLYGMHF-ZSOIEALJSA-N. The full InChI is InChI=1S/C19H17N7O/c20-14(11-27)8-15-2-1-12(9-22-15)19-21-6-5-18(25-19)24-16-3-4-17-13(7-16)10-23-26-17/h1-11,15,22H,20H2,(H,23,26)(H,21,24,25)/b14-8-.
What are the key properties of (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal?
(Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal has a molecular weight of 359.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1,2-dihydropyridin-2-yl]prop-2-enal is sourced from PubChem (CID 137384166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).